Submitted Publications
L. Dudy, J.W. Allen, J.D. Denlinger, J. He, M. Greenblatt, M.W. Haverkort, Y. Nohara, O.K. Andersen
ARPES and NMTO Wannier Orbital Theory of LiMo6O17 - Implications for Unusually Robust Quasi-One Dimensional Behavior
J. Merino, O. Gunnarsson
Pseudogap and singlet formation in cuprate and organic superconductors
S. V. Borisenko, A. N. Yaresko, D. V. Evtushinsky, V. B. Zabolotnyy, A. A. Kordyuk, B. Büchner J. Maletz1, Z. Shermadini, H. Luetkens, K. Sedlak, R. Khasanov, A. Amato, A. Krzton-Maziopa, K. Conder, E. Pomjakushina, H-H. Klauss, and E. Rienks
"Cigar" Fermi surface as a possible requisite for superconductivity in iron-based superconductors
D. V. Evtushinsky, V. B. Zabolotnyy, T. K. Kim, A. A. Kordyuk, A. N. Yaresko, J. Maletz, S. Aswartham, S. Wurmehl, A. V. Boris, D. L. Sun, C. T. Lin, B. Shen, H. H. Wen, A. Varykhalov, R. Follath, B. Büchner, and S. V. Borisenko
Strong pairing at iron 3dxz,yz orbitals in hole-doped BaFe2As2
A. V. Ushakov, D. A. Kukusta, A. N. Yaresko, and D. I. Khomskii
Unusual magnetism of layered chromium sulfides MCr2 (M=Li, Na, K, Ag, and Au)
D. Karmakar and A. Yaresko
Doping-induced spin-manipulation in complex trimer system Ca3Cu3(PO4)4
M. W. Haverkort, I. S. Elfimov, and G. A. Sawatzky
Electronic structure and self energies of randomly substituted solids using density functional theory and model calculations
Xiaoping Yang, A.N. Yaresko, V.N. Antonov, O.K. Andersen
Electronic structure and x-ray magnetic circular dichroism of YBa2Cu3O7/LaMnO3 superlattices from first-principles calculations
Saha-Dasgupta T. , O. K. Andersen, J. Nuss, A. I. Poteryaev, A. Georges, A. I. Lichtenstein
Electronic structure of V2O3: Wannier orbitals from LDA-NMTO calculations

 


Publications in the year 2018

Ole K. Andersen
From Materials to Models: Deriving Insight from Bands

in E. Pavarini, E. Koch, A. Lichtenstein, and D. Vollhardt (eds.) Modeling and Simulation Vol.8 (2018)
ISBN 978-3-95806-313-6

 


Publications in the year 2016

Y. Nohara, O. K. Andersen
Interpolation across a muffin-tin interstitial using localized linear combinations of spherical waves
Phys. Rev. B 94, 085148 (2016)
Diane Ansermet, Alexander P. Petrovic, Shikun He, Dmitri Chernyshov, Moritz Hoesch, Diala Salloum, Patrick Gougeon, Michel Potel, Lilia Boeri, Ole Krogh Andersen and Christos Panagopoulos
Reentrant Phase Coherence in Superconducting Nanowire Composites
ACS Nano 2016, 10(1), pp 515-523

 


Publications in the year 2014

J. Lichtenstein, S. A. Maier, C. Honerkamp, C. Platt, R. Thomale, O. K. Andersen, L. Boeri
Functional renormalization group study of an eight-band model for the iron arsenides
Phys. Rev. B 89, 214514 (2014)
Y. Lu, M. Höppner, O. Gunnarsson, M. W. Haverkort
Efficient real frequency solver for dynamical mean field theory
Phys. Rev. B 90, 085102 (2014)
M. M. Korshunov, D. V. Efremov, A. A. Golubov, and O. V. Dolgov
Unexpected impact of magnetic disorder on multiband superconductivity
Phys. Rev. B 90, 134517 (2014)

 


Publications in the year 2013

Johannes Bauer, Jong E. Han, Olle Gunnarsson
Retardation effects and the Coulomb pseudopotential in the theory of superconductivity
Phys. Rev. B 87, 054507 (2013)
T. Schäfer, G. Rohringer, O. Gunnarsson, S. Ciuchi, G. Sangiovanni, A.Toschi
Divergent Precursors of the Mott-Hubbard Transition at the Two-Particle Level
Phys. Rev. Lett. 110, 246405 (2013)
J. Merino, O. Gunnarsson
Origin of the pseudogap in cuprate superconductors from quantum cluster theories

J. Phys.: Condens. Matter 25 052201 (2013)
L H Obied, D A Crandles, V N Antonov, S K Bose and O Jepsen
Infrared spectroscopy and the ferromagnetic transition in Gd

J. Phys.: Condens. Matter 25 036002 (2013)

 


Publications in the year 2012

Johannes Bauer, Jong E Han and Olle Gunnarsson
The theory of electron-phonon superconductivity: does retardation really lead to a small Coulomb pseudopotential?

J. Phys.: Condens. Matter 24, 492202 (2012)
Ole K. Andersen
NMTOs and their Wannier functions

in E. Pavarini, E. Koch, F. Anders, and M. Jarrell (Ed.) Correlated Electrons: From Models to Materials 2 (2012)
ISBN 978-3-89336-796-2
Tobias Schickling, Florian Gebhard, Jörg Bünemann, Lilia Boeri, Ole K. Andersen, Werner Weber
Gutzwiller theory of band magnetism in LaOFeAs

Phys. Rev. Lett. 108, 036406 (2012)
Kim T. K., A. N. Yaresko, V. B. Zabolotnyy, A. A. Kordyuk, D. V. Evtushinsky, N. H. Sung, B. K. Cho, T. Samuely, P. Szabo, J. G. Rodrigo, J. T. Park, D. S. Inosov, P. Samuely, B. Büchner, and S. V. Borisenko
Conventional superconductivity in SrPd2Ge2
Phys. Rev. B 85, 014520 (2012)
A. Charnukha, J. Deisenhofer, D. Pröpper, M. Schmidt, Z. Wang, Y. Goncharov, A. N. Yaresko, V. Tsurkan, B. Keimer, A. Loidl, and A. V. Boris
Optical conductivity of superconducting Rb2Fe4Se5 single crystals
Phys. Rev. B 85, 100504 (2012)
J. Goulon, A. Rogalev, F. Wilhelm, G. Goujon, A. Yaresko, Ch Brouder, and J. Ben Youssef
Site-selective couplings in x-ray-detected magnetic resonance spectra of rare-earth-substituted yttrium iron garnets
New Journal of Physics 14, 063001 (2012)
C. Etz, I. V. Maznichenko, D. Böttcher, J. Henk, A. N. Yaresko, W. Hergert, I. I. Mazin, I. Mertig, and A. Ernst
Indications of weak electronic correlations in SrRuO3 from first-principles calulations
Phys. Rev. B 86, 064441 (2012)
T. Willers, F. Strigari, N. Hiraoka, Y. Q. Cai, M. W. Haverkort, K.-D. Tsuei, Y. F. Liao, S. Seiro, C. Geibel, F. Steglich, L. H. Tjeng, and A. Severing
Determining the In-Plane Orientation of the Ground-State Orbital of CeCu2Si2

Phys. Rev. Lett. 109, 046401 (2012)
F. Strigari, T. Willers, Y. Muro, K. Yutani, T. Takabatake, Z. Hu, Y.-Y. Chin, S. Agrestini, H.-J. Lin, C. T. Chen, A. Tanaka, M. W. Haverkort, L. H. Tjeng, and A. Severing
Crystal-field ground state of the orthorhombic Kondo insulator CeRu2Al10

Phys. Rev. B 86, 081105 (2012)
M. A. Hossain, B. Bohnenbuck, Y. D. Chuang, M. W. Haverkort, I. S. Elfimov, A. Tanaka, A. G. Cruz Gonzalez, Z. Hu, H.-J. Lin, C. T. Chen, R. Mathieu, Y. Tokura, Y. Yoshida, L. H. Tjeng, Z. Hussain, B. Keimer, G. A. Sawatzky, and A. Damascelli
Mott versus Slater-type metal-insulator transition in Mn-substituted Sr3Ru2O7

Phys. Rev. B 86, 041102 (2012)
S. Glawion, M. W. Haverkort, G. Berner, M. Hoinkis, G. Gavrilla, R. Kraus, M. Knopfer, M. Sing, and R. Claessen
Unoccupied electronic structure of TiOCl studied using x-ray absorption near-edge spectroscopy

J. Phys.: Condens. Matter 24, 255602 (2012)
P. Hansmann, M. W. Haverkort, A. Toschi, G. Sangiovanni, F. Rodolakis, J. P. Rueff, M. Marsi, and K. Held
Atomic and itinerant effects at the transition-metal x-ray absorption K pre-edge exemplified in the case of V2O3

Phys. Rev. B 85, 115136 (2012)
J. Schlappa, K. Wohlfeld, K. J. Zhou, M. Mourigal, M. W. Haverkort, V. N. Stocov,L. Hozoi, C. Monney, S. Nishimoto, S. Singh, A. Revcolevschi, J.-S. Caux, L. Patthey, H. M. Ronnow, J. van den Brink, and T. Schmitt
Spin-Orbit Separation in the quasi 1D Mott-insulator Sr2CuO3

Nature 485, 82 (2012)
Olle Gunnarsson
Strongly correlated electrons: Estimates of model parameters

Lecture notes at the Autumn School on Correlated Electrons, Jülich, in Correlated Electrons: From Models to Materials Modeling and Simulation, Vol. 2, p. 9.1. Eds: E. Pavarini, E. Koch, F. Anders, and M. Jarrell, Verlag des Forschungszentrum Jülich, 2012
ISBN 978-3-89336-796-2
M. W. Haverkort, M. Zwierzycki and O. K. Andersen
Multiplet ligand-field theory using Wannier orbitals

Phys. Rev. B 85, 165113 (2012)
M. Reehuis, T. Saha-Dasgupta, D. Orosel, J. Nuss, B. Rahaman, B. Keimer, O. K. Andersen and M. Jansen
Magnetic properties of PdAs2O6: A dilute spin system with an unusually high Néel temperature

Phys. Rev. B 85, 115118 (2012)
V. N. Antonov, L. V. Bekenov, O. Jepsen, D. V. Mazur, and L. P. Germash
X-ray magnetic dichroism in the (Zn, Co)O diluted magnetic semiconductors from first principle calculations

J. Appl. Phys 111, 073702 (2012)

 


Publications in the year 2011

D. V. Efremov, M. M. Korshunov, O. V. Dolgov, A. A. Golubov, P. J. Hirschfeld
Disorder induced transition between s+- and s++ states in two-band superconductors

Phys. Rev. B 84, 180512 (2011)
A., O.V. Dolgov, A. A. Golubov, Y. Matiks, D. L. Sun, C. T. Lin, B. Keimer, A. V. Boris
Eliashberg approach to superconductivity-induced infrared anomalies in Ba0.68K0.32Fe2As2

Phys. Rev. B 84, 174511 (2011)
Guo-Qiang Liu
Spin-orbit coupling induced Mott transition in Ca2-xSrxRuO4 (0..x..0.2)

Phys. Rev. B 84, 235136 (2011)
Guo-Qiang Liu
Mott transition and magnetic anisotropy in Ca3Ru2O7

Phys. Rev. B 84, 235137 (2011)
Sen Gupta S., J.A. Bradley, M.W. Haverkort, G.T. Seidler, A. Tanaka, G.A. Sawatzky
Coexistence of bound and virtual-bound states in shallow-core to valence x-ray spectroscopies

Phys. Rev. B 84, 075134 (2011)
Glawion S., J. Heidler, M.W. Haverkort, L.C. Duda, T. Schmitt, V.N. Strocov, M. Sing, R. Claessen
Two-Spinon and Orbital Excitations of the Spin-Peierls System TiOCl

Phys. Rev. Lett. 107, 107402 (2011)
V.A. Alekseev, P.I. Arseev, M.A. Vasil'ev, A.V. Gurevich, O.V. Dolgov, Yu.M. Kagan, L.V. Keldysh, Yu.V. Kopaev, Yu.E. Lozovik, M.V. Sadovskii, Yu.A. Uspenskii, V.E. Fortov
In memory of Evgenii Grigor'evich Maksimov

Phys. Usp. 54, 1195-1197 (2011)
M. Uchida, K. Ishizaka, P. Hansmann, X. Yang, M. Sakano, J. Miyawaki, R. Arita1, Y. Kaneko, Y. Takata, M. Oura, A. Toschi, K. Held, A. Chainani, O. K. Andersen, S. Shin, and Y. Tokura
Orbital characters of three-dimensional Fermi surfaces in Eu2-xSrxNiO4 as probed by soft-x-ray angle-resolved photoemission spectroscopy

Phys. Rev. B 84, 241109(R) (2011)
F. Rodolakis, J.-P. Rueff, M. Sikora, I. Alliot, J.-P. Itié, F. Baudelet, S. Ravy, P. Wzietek, P. Hansmann, A. Toschi, M. W. Haverkort, G. Sangiovanni, K. Held, P. Metcalf, and M. Marsi
Evolution of the electronic structure of a Mott system across its phase diagram: X-ray absorption spectroscopy study of (V1-xCrx)2O3

Phys. Rev. B 84, 245113 (2011)
Luciano Ortenzi, Silke Biermann, Ole Krogh Andersen, I. I. Mazin, and Lilia Boeri
Competition between electron-phonon coupling and spin fluctuations in superconducting hole-doped CuBiSO

Phys. Rev. B 83, 100505(R) (2011)
Yoshiro Nohara, Kazuma Nakamura, Ryotaro Arita
Ab initio Derivation of Correlated Superatom Model for Potassium Loaded Zeolite A

J. Phys. Soc. Jpn. 80, 124705 (2011)
Y. Matiks, A. N. Yaresko, K. Myung-Whun, A. Maljuk, P. Horsch, B. Keimer, and A. V. Boris
Anisotropic optical response of the mixed-valent Mott-Hubbard insulator NaCu2O2

Phys. Rev. B 84, 245116 (2011)
Guo-Qiang Liu
Mott transition and magnetic anisotropy in Ca3Ru2O7

Phys. Rev. B 84, 235137 (2011)
M. Le Tacon, G. Ghiringhelli, J. Chaloupka, M. Moretti Sala, V. Hinkov, M. W. Haverkort, M. Minola, M. Bakr, K. J. Zhou, S. Blanco-Canosa, C. Monney, Y. T. Song, G. L. Sun, C. T. Lin, G. M. De Luca, M. Salluzzo, G. Khaliullin, T. Schmitt, L. Braicovich and B. Keimer
Intense paramagnon excitations in a large family of high-temperature superconductors

Nature Physics 7,725-730 (2011)
D. A. Kukusta, V. N. Antonov, and A. N. Yaresko
X-ray magnetic circular dichroism in Co2FeGa: First-principles calculations

Low Temp. Phys. 37, 684 (2011)
Hollmann, N.; Haverkort, M. W.; Benomar, M.; Cwik, M.; Braden, M.; Lorenz, T.
Evidence for a temperature-induced spin-state transition of Co3+ in La2-xSrxCoO4

Phys. Rev. B 83, 174435 (2011)
A. Charnukha, O. V. Dolgov, A. A. Golubov, Y. Matiks, D. L. Sun, C. T. Lin, B. Keimer, and A. V. Boris
Eliashberg approach to infrared anomalies induced by the superconducting state of Ba0.68K0.32Fe2As2 single crystals

Phys. Rev. B 84, 174511 (2011)
S.V. Borisenko, A.A. Kordyuk, V.B. Zabolotnyy, D.V. Evtushinsky, T.K. Kim, B. Büchner, A.N. Yaresko, V.D. Borisenko, H. Berger
VanHove singularity as a possible origin of the bandwidth renormalization in layered superconductors

Journal of Physics and Chemistry of Solids 72, 5662-564 (2011)
N. Hiraoka, M. Suzuki, K. D. Tsuei, H. Ishii, Y. Q. Cai, M. W. Haverkort, C. C. Lee and W. Ku
dd excitations in three-dimensional q-space: A nonresonant inelastic X-ray scattering study on NiO

Europhysics Letters 96, 37007 (2011)
V. N. Antonov, L. V. Bekenov and A. N. Yaresko
Electronic Structure of Strongly Correlated Systems (Review Article)

Advances in Condensed Matter Physics 2011, 298928 (2011)
Eva Benckiser, Maurits W. Haverkort, Sebastian Brück, Eberhard Goering, Sebastian Macke, Alex Frañó, Xiaoping Yang, Ole K. Andersen, Georg Cristiani, Hanns-Ulrich Habermeier, Alexander V. Boris, Ioannis Zegkinoglou, Peter Wochner, Heon-Jung Kim, Vladimir Hinkov and Bernhard Keimer
Orbital reflectometry of oxide heterostructures

Nature Materials 10, 189-193 (2011)
Johannes Bauer, Jong E. Han, Olle Gunnarsson
Quantitative reliability study of the Migdal-Eliashberg theory for strong electron-phonon coupling in superconductors

Phys. Rev. B 84, 184531 (2011)
Golubov A.A., O.V. Dolgov, A.V. Boris, A. Charnukha, D.L. Sun, C.T. Lin, A.F. Shevchun, A.V. Korobenko, M.R. Trunin, V.N. Zverev
Normal state resistivity of Ba1-xKxFe2As2: evidence for multiband strong-coupling behavior
JETP Lett. 94 (2011), 357
G. Sangiovanni and O. Gunnarsson
Isotope effect in the pseudogap state of high-temperature copper oxide superconductors
Phys. Rev. B 84, 100505 (2011)
Alaska Subedi and Lilia Boeri
Vibrational spectrum and electron-phonon coupling of doped solid picene from first principles
Phys. Rev. B 84, 020508(R) (2011)
L. Benfatto, E. Cappelluti, L. Ortenzi, and L. Boeri
Extended Drude model and role of interband transitions in the midinfrared spectra of pnictides
Phys. Rev. B 83, 224514 (2011)
Charnukha A., P. Popovich, Y. Matiks, D. L. Sun, C. T. Lin, A. N. Yaresko, B. Keimer, A. V. Boris
Superconductivity-induced optical anomaly in an iron arsenide
Nat. Commun. 2:219 doi: 10.1038/ncomms1223 (2011)
W. Hermes, S. Linsinger, S. Rayaprol, S. Tuncel, R.-D. Hoffmann, R.K. Kremer, O. Jepsen, R. Pöttgen
Magnetic Anomalies and Electronic Structure of Ce2Cu2Mg and Ce2Pd2Mg
Journal of Superconductivity and Novel Magnetism Vol 24(5) 1585-1592 (2011)
Pontius N., T. Kachel, C. Schüßler-Langeheine, W.F. Schlotter, M. Beye, F. Sorgenfrei, C.F. Chang, A. Föhlisch, W. Wurth, P. Metcalf, I. Leonov, A. Yaresko, N. Stojanovic, M. Berglund, N. Guerassimova, S.D.H. Redlin, H.A. Dürr
Time-resolved resonant soft x-ray diffraction with free-electron lasers: Femtosecond dynamics across the Verwey transition in magnetite

Appl. Phys. Lett. 98, 182504 (2011)
Ortenzi, L., S. Biermann, O. K. Andersen, I. I. Mazin, L. Boeri
Competition between Electron-phonon coupling and Spin fluctuations in superconducting hole-doped BiOCuS
Phys. Rev. B 83, 100505(R) (2011)
Andersen, O. K., L. Boeri
On the multi-orbital band structure and itinerant magnetism of iron-based superconductors
Ann. Phys. (Berlin) 523, No. 1-2, 8-50 (2011)
Uchida, M., K. Ishizaka, P. Hansmann, Y. Kaneko, Y. Ishida, X. Yang, R. Kumai, A. Toschi, Y. Onose, R. Arita, K. Held, O. K. Andersen, S.Shin and Y. Tokura
Pseudogap of Metallic Layered Nickelate R2-xSrxNiO4 (R = Nd, Eu) Crystals Measured Using Angle-Resolved Photoemmission Spectroscopy
PRL 106, 027001 (2011)

 


Publications in the year 2010

O. Gunnarsson, G. Sangiovanni, A. Valli, and M. W. Haverkort
Fourier transformation and response functions

Phys. Rev. B 82, 233104 (2010)
G. M. De Luca, G. Ghiringhelli, M. Moretti Sala, S. Di Matteo, M. W. Haverkort, H. Berger, V. Bisogni, J. C. Cezar, N. B. Brookes and M. Salluzzo
Weak magnetism in insulating and superconducting cuprates

Phys. Rev. B 82, 214504 (2010)
T. Haupricht, R. Sutarto, M. W. Haverkort, H. Ott, A. Tanaka, H. H. Hsieh, H.-J. Lin, C. T. Chen, Z. Hu, and L. H. Tjeng
Local electronic structure of Fe2+ impurities in MgO thin films: Temperature-dependent soft x-ray absorption spectroscopy study

Phys. Rev. B 82, 035120 (2010)
Debjani Karmakar, T. V. Chandrasekhar Rao, J. V. Yakhmi, A. Yaresko, V. N. Antonov, R. M. Kadam, S. K. Mandal, R. Adhikari, A. K. Das, T. K. Nath, Nirmal Ganguli, I. Dasgupta, G. P. Das
Electronic structure and magnetic properties of (Fe,Co)-codoped ZnO: Theory and experiment

Phys. Rev. B 81, 184421 (2010)
Goulon J., A. Rogalev, F. Wilhelm, G. Goujon, Ch. Brouder, A. Yaresko, J. Ben Youssef, M. V. Indenbom
X-ray detected magnetic resonance of YIG thin films in the nonlinear regime of spin waves
J. Magn. Magn. Materials 322, 2308 (2010)
Karmakar Debjani, T. V. Chandrasekhar Rao, J. V. Yakhmi, A. Yaresko, V. N. Antonov, R. M. Kadam, S. K. Mandal, R. Adhikari, A. K. Das, T. K. Nath, Nirmal Ganguli, I. Dasgupta, G. P. Das
Electronic structure and magnetic properties of (Fe,Co)-codoped ZnO: Theory and experiment
Phys. Rev. B 81, 184421 (2010)
Shpak A. P., V. N. Antonov, D. A. Kukusta, A. N. Yaresko, L. V. Bekenov
X-ray magnetic circular dichroism at rare-earth L2,3 absorption edges in various Ce and Gd compounds and alloys
J. Electron. Spectrosc. Relat. Phenom. 181, 173 (2010)
Petrovic, A. P., R. Lortz, G. Santi, M. Decroux, H. Monnard, L. Boeri, O.K. Andersen, J. Kortus, D. Salloum, P. Gougeon, M. Potel, O. Fischer
Phonon mode spectroscopy, electron-phonon coupling, and the metal-insulator transition in quasi-one-dimensional M2Mo6Se6
Phys. Rev. B 82, 235128 (2010)
Hansmann, P., A. Toschi, Xiaoping Yang, O. K. Andersen, K. Held
Electronic structure of nickelates: From two-dimensional heterostructures to three-dimensional bulk materials
Phys. Rev. B 82, 235123 (2010)
Antonov V. N., A. P. Shpak, L. V. Bekenov, L. P. Germash and A. N. Yaresko
Electronic structure and x-ray magnetic circular dichroism in (Ge,Mn)Te diluted magnetic semiconductors
Cond. Matt. Phys. 13 (2010), 23702
Antonov V. N., A. N. Yaresko, and O. Jepsen
X-ray magnetic dichroism in III-V diluted magnetic semiconductors: First-principles calculations
Phys. Rev. B 81 (2010), 075209
Boeri L., M. Calandra, I.I. Mazin, O.V. Dolgov, F. Mauri
Effects of magnetism and doping on the electron-phonon coupling in BaFe2As2
Phys. Rev. B 82 (2010), 020506(R)
Borisenko S.V. , V.B. Zabolotnyy, D.V. Evtushinsky, T.K. Kim, I.V. Morozov, A.N. Yaresko, A.A. Kordyuk, G. Behr, A. Vasiliev, R. Follath, and B. Büchner
Superconductivity without Nesting in LiFeAs
Phys. Rev. Lett. 105 (2010), 067002
Bradley, J.A., S. Sen Gupta, G.T. Seidler, K.T. Moore, M W. Haverkort, G.A. Sawatzky, S.D. Conradson, D.L. Clark, S.A. Kozimor, K S. Boland
Probing electronic correlations in actinide materials using multipolar transitions
Phys. Rev. B 81 (2010), 193104
O. Gunnarsson, G. Sangiovanni, A. Valli, M. W. Haverkort
Fourier transformation and response functions
Phys. Rev. B 82 (2010), 233104
Gunnarsson, O., M. Haverkort, G. Sangiovanni
Analytical continuation of imaginary axis data for optical conductivity
Phys. Rev. B 81 (2010), 165125
Gunnarsson, O., M.W. Haverkort, G. Sangiovanni
Analytical continuation of imaginary axis data using maximum entropy

Phys. Rev. B 81 (2010), 155107
Haupricht T., R. Sutarto, M. W. Haverkort, H. Ott, A. Tanaka, H. H. Hsieh, H.-J. Lin, C. T. Chen, Z. Hu, and L. H. Tjeng
Local electronic structure of Fe2+ impurities in MgO thin films: Temperature-dependent soft x-ray absorption spectroscopy study
Phys. Rev. B 82 (2010),
Haverkort, M.W.
Theory of Resonant Inelastic X-Ray Scattering by Collective Magnetic Excitations
Phys. Rev. Lett. 105 (2010), 167404
Haverkort, M.W., N. Hollmann, I-P. Krug, A. Tanaka
Symmetry analysis of magneto-optical effects: The case of x-ray diffraction and x-ray absorption at the transition metal L2,3 edge
Phys. Rev. B 82 (2010), 094403
Hibma T., M.W. Haverkort
Chapter 4: Antiferromagnetic Oxide Films on Non-Magnetic Substrates
in: Magnetic Properties of Antiferromagnetic Oxide Materials: Surfaces, Interfaces and Thin Films (eds L. Duò, M. Finazzi and F. Ciccacci), 2010, Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany.
Karlsson K., F. Aryasetiawan, O. Jepsen
Method for calculating the electronic structure of correlated materials from a truly first-principles LDA+U scheme
Phys. Rev. B 81 (2010), 245113

Lupi S., L. Baldassarre, B. Mansart, A. Perucchi, A. Barinov, P. Dudin, E. Papalazarou, F. Rodolakis, J. -P. Rueff, J. -P. Itié, S. Ravy, D. Nicoletti, P. Postorino, P. Hansmann, N. Parragh, A. Toschi, T. Saha-Dasgupta, O. K. Andersen, G. Sangiovanni, K. Held and M. Marsi
A microscopic view on the Mott transition in chromium-doped V2O3
Nature Communications 1 (2010), 105

Maksimov E.G., M.L. Kulic, O.V. Dolgov
Bosonic Spectral Function in HTSC Cuprates: Part I – Experimental Evidence for Strong Electron-Phonon Interaction
Advances in Condensed Matter Physics 2010 (2010), 423725
Park J.T., D. S. Inosov, A. Yaresko, S. Graser, D. L. Sun, Ph. Bourges, Y. Sidis, Yuan Li, J.-H. Kim, D. Haug, A. Ivanov, K. Hradil, A. Schneidewind, P. Link, E. Faulhaber, I. Glavatskyy, C. T. Lin, B. Keimer, V. Hinkov
Symmetry of spin excitation spectra in the tetragonal paramagnetic and superconducting phases of 122-ferropnictides
Phys. Rev. B 82 (2010), 134503
Popovich P., A.V. Boris, O.V. Dolgov, A.A. Golubov, D.L. Sun, C.T. Lin, R.K. Kremer, B. Keimer
Specific Heat Measurements of Ba0.68K0.32Fe2As2 Single Crystals: Evidence for a Multiband Strong-Coupling Superconducting State

Phys. Rev. Lett. 105 (2010), 027003
Rodolakis F., P. Hansmann, J.-P. Rueff, A. Toschi, M.W. Haverkort, G. Sangiovanni, A. Tanaka, T. Saha-Dasgupta, O.K. Andersen, K. Held, M. Sikora, I. Alliot, J.-P. Itié, F. Baudelet, P. Wzietek, P. Metcalf, M. Marsi
Inequivalent Routes Through the Mott Transition in V2O3 Explored by X-Ray Absorption
Phys. Rev. Lett. 104 (2010), 047401

Sangiovanni G., O. Gunnarsson
Why standard estimates of electron–phonon coupling in cuprates do not work
Journal of Electron Spectroscopy and Related Phenomena 181 (2010), 20-22

Sebastian S.E., N. Harrison, P.A. Goddard, M.M. Altarawneh, C.H. Mielke, Ruixing Liang, D.A. Bonn, W.N. Hardy, O.K. Andersen, and G.G. Lonzarich
Compensated electron and hole pockets in an underdoped high-Tc superconductor

Phys. Rev. B 81 (2010), 214524
Valli A., G. Sangiovanni, O. Gunnarsson, A. Toschi, K. Held
Dynamic Vertex Approximation for Nanoscopic Systems

Phys. Rev. Lett. 104 (2010), 246402
Yaresko A.N.
Magnetic properties of iron pnictides from spin-spiral calculations

J. Phys.: Conference Series 200 (2010), 032080
Zurek E., O. Jepsen, O.K. Andersen
Searching for the Interlayer Band and Unravelling the Bonding in β-ThSi2 and α-ThSi2 with NMTO Wannier-like Functions

Inorg. Chem. 49 (2010), 1384-1396

 


Publications in the year 2009

R A Gordon, M W Haverkort, Subhra Sen Gupta and G A Sawatzky
Orientation-dependent x-ray Raman scattering from cubic crystals: Natural linear dichroism in MnO and CeO2

J. Phys.: Conf. Ser. 190, 012047 (2009)
F Rodolakis, P Hansmann, J-P Rueff, A Toschi, M W Haverkort, G Sangiovanni, K Held, M Sikora, A Congeduti, J-P Itié, F Baudelet, P Metcalf and M Marsi
Electronic correlations in V2O3 studied with K-edge X-ray absorption spectroscopy

J. Phys.: Conf. Ser. 190, Page (2009)
S. Altieri, M. Finazzi, H. H. Hsieh, M. W. Haverkort, H.-J. Lin, C. T. Chen, S. Frabboni, G. C. Gazzadi, A. Rota, S. Valeri, and L. H. Tjeng
Image charge screening: A new approach to enhance magnetic ordering temperatures in ultrathin correlated oxide films

Phys. Rev. B 79, 174431 (2009)
R A Gordon, M W Haverkort, Subhra Sen Gupta and G A Sawatzky
Orientation-dependent x-ray Raman scattering from cubic crystals: natural linear dichroism in MnO and CeO2

Journal of Physics: Conference Series190, 012047 (2009)
Antonov V.N., L.V. Bekenov, A.P. Shpak, L.P.Germash, A.N. Yaresko, O. Jepsen
X-ray magnetic circular dichroism in iron chalcogenides Fe1–x S: First-principles calculations
Journal of Applied Physics 106 (2009), 123907
Antonov V.N., L. P. Germash,, A.P. Shpak, A. N. Yaresko
Electronic structure, optical and x‑ray emission spectra in FeS2
Phys. Status Solidi B 246 (2009), 411-416
Boeri L., O.V. Dolgov, A.A. Golubov
Electron–phonon properties of pnictide superconductors
Physica C, 469 (2009), 628
Borisenko S.V., A.A. Kordyuk, V.B. Zabolotnyy, D.S. Inosov, D. Evtushinsky, B. Büchner, A.N. Yaresko, A. Varykhalov, R. Follath, W. Eberhardt, L. Patthey, and H. Berger
Two Energy Gaps and Fermi-Surface “Arcs” in NbSe2
Phys. Rev. Lett. 102 (2009), 166402
Cisternas E., F. Stavale, M. Flores, C.A. Achete, and P. Vargas
First-principles calculation and scanning tunneling microscopy study of highly oriented pyrolytic graphite (0001)
Phys. Rev. B 79 (2009), 205431
Dolgov O.V., A.A. Golubov, D. Parker
Microwave response of superconducting pnictides: extended s± scenario

New Journal of Physics 11 (2009), 075012
Dolgov O.V., I.I. Mazin, D. Parker, A.A. Golubov
Interband superconductivity: contrasts between BCS and Eliashberg theory
Phys. Rev. B 79 (2009), 060502 (R)
Golubov A.A., A. Brinkman, Yukio Tanaka, I. I. Mazin, and O.V. Dolgov
Andreev Spectra and Subgap Bound States in Multiband Superconductors
Phys. Rev. Lett. 103 (2009), 077003
Gordon R.A., M.W. Haverkort, S. Sen Gupta, G.A. Sawatzky
Orientation-dependent x-ray Raman scattering from cubic crystals: natural linear dichroism in MnO and CeO2
14th International Conference on X-Ray Absorption Fine Structure (XAFS14).
Journal of Physics Conference Series 190 (2009), 012047
Hansmann P., Xiaoping Yang, A. Toschi, G. Khaliullin, O.K. Andersen, K. Held
Turning a Nickelate Fermi Surface into a Cupratelike One through Heterostructuring
Phys. Rev. Lett. 103 (2009), 016401
Inosov D.S., A. Leineweber, Xiaoping Yang, J.T. Park, N.B. Christensen, R. Dinnebier, G.L. Sun, Ch. Niedermayer, D. Haug, P.W. Stephens, J. Stahn, O. Khvostikova, C. T. Lin, O.K. Andersen, B. Keimer, and V. Hinkov
Suppression of the structural phase transition and lattice softening in slightly underdoped Ba1−xKxFe2As2 with electronic phase separation

Phys. Rev. B 79 (2009), 224503
Kuli´c M. L., S.-L. Drechsler, O. V. Dolgov
Conventional superconductivity in Fe-based pnictides: The relevance of intra-band electron-boson scattering
EPL 85 (2009), 47008
Landeros P., O.J. Suarez, A. Cuchillo, and P. Vargas
Equilibrium states and vortex domain wall nucleation in ferromagnetic nanotubes
Phys. Rev. B 79 (2009), 024404
Park J. T. , D. S. Inosov, Ch. Niedermayer, G. L. Sun, D. Haug, N. B. Christensen, R. Dinnebier, A. V. Boris, A. J. Drew, L. Schulz, T. Shapoval, U. Wolff, V. Neu, Xiaoping Yang, C. T. Lin, B. Keimer, V. Hinkov
Electronic phase separation in the slightly underdoped iron pnictide superconductor Ba1-xKxFe2As2
Phys. Rev. Lett. 102 (2009), 117006
Perucchi A., C. Marini, M. Valentini, P. Postorino, R. Sopracase, P. Dore, P. Hansmann, O. Jepsen, G. Sangiovanni, A. Toschi, K. Held, D. Topwal, D.D. Sarma, S. Lupi
Pressure and alloying effects on the metal to insulator transition in NiS2-xSex studied by infrared spectroscopy
Phys. Rev. B 80 (2009), 073101
Rogalev A., J. Goulon, F. Wilhelm, Ch. Brouder, A. Yaresko, J. Ben Youssef, M.V. Indenbom
Element selective X-ray magnetic circular and linear dichroisms in ferrimagnetic yttrium iron garnet films
Journal of Magnetism and Magnetic Materials 321 (2009), 3945-3962
Soto R., G. Martínez, M.N. Baibich, J.M. Florez, and P. Vargas
Metastable states in the triangular-lattice Ising model studied by Monte Carlo simulations: Application to the spin-chain compound Ca3Co2O6
Phys. Rev. B 79 (2009), 184422
Suarez O.J., P. Vargas, E.E. Vogel
Energy and force between two magnetic nanotubes
Journal of Magnetism and Magnetic Materials 321 (2009), 3658-3664
Upadhyay Kahaly M.
Defect states in carbon nanotubes and related band structure engineering: A first-principles study

Journal of Applied Physics 105 (2009), 024312
Yang X.P., G. Wu
Itinerant Flat-Band Magnetism in Hydrogenated Carbon Nanotubes
ACSNANO 3 (2009), 1646-1650

Yaresko A., G.-Q. Liu, V.N. Antonov, O.K. Andersen
Interplay between magnetic properties and Fermi surface nesting in iron pnictides
Phys. Rev. B 79 (2009), 144421

Zabolotnyy V. B. , D. S. Inosov, D. V. Evtushinsky, A. Koitzsch, A. A. Kordyuk, G. L. Sun, J. T. Park, D. Haug, V. Hinkov, A. V. Boris, C. T. Lin, M. Knupfer, A. N. Yaresko, B. Buechner, A. Varykhalov, R. Follath, S. V. Borisenko
(π,π) electronic order in iron arsenide superconductors
Nature 457 (2009), 569

Zurek E., J.Autschbach
NMR Computations for Carbon Nanotubes From First Principles: Present Status and Future Directions
International Journal of Quantum Chemistry 109 (2009), 3343-3367

Zurek E., C. J. Pickard, and J.Autschbach
A Density Functional Study of the 13C NMR Chemical Shifts in Fluorinated Single-Walled Carbon Nanotubes
J. Phys. Chem. A 113 (2009), 4117-4124
Zwierzycki M., O.K. Andersen
The Overlapping Muffin-Tin Approximation
Acta Physica Polonica A 115 (2009), 64-68

 


Publications in the year 2008

Electron–Phonon interaction in strongly correlated electron systems: relevance of antiferromagnetic correlations.
Journal of Physics: Conference Series 108 (2008), 012012

Antonov V.N., O.V. Andryushchenko, A.P. Shpak, A. N. Yaresko, and O. Jepsen
Electronic structure, optical spectra, and x‑ray magnetic circular dichroism in CoS2
Phys. Rev. B 78 (2008), 094409

Antonov V.N., D.A. Kukusta, A.P. Shpak, A.N. Yaresko
Electronic structure and x-ray magnetic circular dichroism in the Heusler alloy Co2FeSi
Condensed Matter Physics 11 (2008), 627-639
Antonov V.N., D.A. Kukusta, A.N. Yaresko
X-ray magnetic circular dichroism in CeFe2: First-principles calculations
Phys. Rev. B 78 (2008), 094401
Aynajian P., T. Keller, L. Boeri, S. M. Shapiro, K. Habicht, B. Keimer
Energy Gaps and Kohn Anomalies in Elemental Superconductors

Science 319 (2008), 1509
BaldassarreL., A. Perucchi, D. Nicoletti, A. Toschi, G. Sangiovanni, K. Held, M. Capone, M. Ortolani, L. Malavasi, M. Marsi, P. Metcalf, P. Postorino, and S. Lupi
Quasiparticle evolution and pseudogap formation in V2O3: An infrared spectroscopy study
Phys. Rev. B 77 (2008), 113107
Boeri L., O.V. Dolgov, A.A. Golubov
Is LaO1−xFxFeAs an electron-phonon superconductor?
Phys. Rev. Lett. 101 (2008), 026403
Boeri L., J. S. Kim, M. Giantomassi, F. S. Razavi, S. Kuroiwa, J. Akimitsu, R. K. Kremer
Pressure effects on the superconducting transition in nH-CaAlSi
Phys. Rev. B 77 (2008), 144502
Das H., T. Saha-Dasgupta, C. Gros, R. Valentí
Proposed low-energy model Hamiltonian for the spin-gapped system CuTe2O5
Phys. Rev. B 77 (2008), 224437
Dolgov O.V., O.K. Andersen, I.I. Mazin
Self-consistent theory of phonon renormalization and electron–phonon coupling near a two-dimensional Kohn singularity
Phys. Rev. B 77 (2008), 014517
Dolgov O.V., A.A. Golubov
Strong electron-phonon interaction in multiband superconductors
Phys. Rev. B 77 (2008), 214526
Dolgov O.V., A.A. Golubov
Strong electron-phonon interaction in multiband superconductors
Phys. Rev. B 77 (2008), 214526
Dolgov O.V., A.A. Golubov, I.I. Mazin, E.G. Maksimov
Critical temperature and the giant isotope effect in the presence of paramagnons
J. Phys.: Condens. Matter 20 (2008), 434226
Gunnarsson O.
Competition fix
Nature Materials 7 (2008), 176-177

Gunnarsson O., O. Rösch
Interplay between electron–phonon and Coulomb interactions in cuprates
Journal of Physics: Condensed Matter 20 (2008), 043201

Held K.,O.K. Andersen, M. Feldbacher, A. Yamasaki Y.-F. Yang
Bandstructure meets many-body theory: the LDA + DMFT method
J. Phys.: Condens. Matter 20 (2008), 064202
Kanchana V., G. Vaitheeswaran, A. Svane
Calculated structural, elastic and electronic properties of SrCl2
Journal of Alloys and Compounds 455 (2008), 480-484
Kent P.R.C., T. Saha-Dasgupta, O. Jepsen, O.K. Andersen, A. Macridin, T.A. Maier, M. Jarrell, T.C. Schulthess
Combined density-functional and dynamical cluster quantum Monte Carlo calculations for three-band Hubbard models for hole-doped cuprate superconductors
Phys. Rev. B 78, 035132 (2008)
Koch E., G. Sangiovanni, O. Gunnarsson
Sum-rules and bath-parametrization for quantum cluster theories
Phys. Rev. B 78 (2008), 115102

Laroze D., P. Vargas, C. Cortes, G. Gutierrez
Dynamics of two interacting dipoles
Journal of Magnetism and Magnetic Materials 320 (2008), 1440-1448

Leoni S., A.N. Yaresko, N. Perkins, H. Rosner, L. Craco
Orbital-spin order and the origin of structural distortion in MgTi2O4
Phys. Rev. B 78 (2008), 125105
Liu G.-Q., V.N. Antonov, O. Jepsen, O.K. Andersen
Coulomb-Enhanced Spin-Orbit Splitting: The Missing Piece in the Sr2RhO4 Puzzle
Phys. Rev. Lett. 101 (2008), 026408
Marini C., E. Arcangeletti, D. Di Castro, L. Baldassare, A. Perucchi, S. Lupi, L. Malavasi, L Boeri, E. Pomjakushina, K. Conder, and P. Postorino
Optical properties of V1−xCrxO2 compounds under high pressure
Phys. Rev. B 77 (2008), 235111

Mazin I.I. , M.D. Johannes, L. Boeri, K. Koepernik, and D. J. Singh
Problems with reconciling density functional theory calculations with experiment in ferropnictides
Phys. Rev. B 78, 085104 (2008)

Parker D., O. V. Dolgov, M. M. Korshunov, A. A. Golubov, and I. I. Mazin
Extended s± scenario for the nuclear spin-lattice relaxation rate in superconducting pnictides
Phys. Rev. B 78 (2008), 134524
Pillay D. M. D. Johannes, I. I. Mazin, O. K. Andersen
Origin of a1g and e´g orderings in NaxCoO2
Phys. Rev.B 78 (2008), 012501

Quandt A., C. Özdogan, J. Kunstmann, H. Fehske
Boron doped graphene nanostructures
physica status solidi (b) 245 (2008), 2077-2081

Sushkov O.P., W. Xie, O. Jepsen, O.K. Andersen, G.A. Sawatzky
Anisotropies in insulating La2-xSrxCuO4: Angle-resolved photoemission and optical absorption
Phys. Rev. B 77 (2008), 035124
Taraphder A., M.S. Laad, L. Craco, A.N. Yaresko
GdI2: A New Ferromagnetic Excitonic Solid?
Phys. Rev. Lett. 101 (2008), 136410
van Veenendaal, M., M. W. Haverkort
Effective operator for d–d transitions in nonresonant inelastic x-ray scattering
Phys. Rev. B 77 (2008), 224107
F.S. Yel’kin, V.A. Sidorov, A. Waśkowska, L. Gerward, J. Staun Olsen, G. Vaitheeswaran and V. Kanchana
Phase transitions in Cd3P2 at high pressures and high temperatures
Journal of Alloys and Compounds 450 (2008), 79-85
Zurek E., J. Autschbach, N. Malinowski, A. Enders,and K.Kern
Experimental and Theoretical Investigations of the Thermodynamic Stability of Ba–C60 and K–C60 Compound Clusters
ACSNano 2 (2008), 1000
Zurek E., C.J. Pickard, J. Autschbach
Determining the Diameter of Functionalized Single-Walled Carbon Nanotubes with 13C NMR: A Theoretical Study
J. Phys. Chem. C 112 (2008), 9267-9271
Zurek E., C.J. Pickard, J. Autschbach
Density-Functional Study of the 13C NMR Chemical Shifts in Single-Walled Carbon Nanotubes with Stone–Wales Defects
J. Phys. Chem. C 112 (2008), 11744-11750

 


Publications in the year 2007

Zurek E., C.J. Pickard, J. Autschbach
Density-Functional Study of the 13C NMR Chemical Shifts in Single-Walled Carbon Nanotubes with Stone–Wales Defects
J. Phys. Chem. C 112 (2008), 11744-11750

 


Publications in the year 2007

Y. Tsuia, A. Brühl, K. Removic-Langer, V. Pashchenko, B. Wolf, G. Donath, A. Pikul, T. Kretz, H.-W. Lerner, M. Wagner, A. Salguero, T. Saha-Dasgupta, B. Rahaman, R. Valenti, M. Langa
Field-induced phase transition in a metalorganic spin-dimer system - a potential model system to study Bose-Einstein condensation of magnons

Journal of Magnetism and Magnetic Materials 310, 1319 (2007)
L Andrea Salguero, Harald O Jeschke, Badiur Rahaman, Tanusri Saha-Dasgupta, Christian Buchsbaum, Martin U Schmidt and Roser Valenti
Cu-based metalorganic systems: an ab initio study of the electronic structure

New Journal of Physics9, 26 (2007)
T Saha-Dasgupta, A Lichtenstein, M Hoinkis, S Glawion, M Sing, R Claessen and R Valentí
Cluster dynamical mean-field calculations for TiOCl

New Journal of Physics 9, 380 (2007)
T. Saha-Dasgupta, Molly De Raychaudhury, and D. D. Sarma
Ferromagnetism in metallic chalcospinels CuCr2S4 and CuCr2Se4

Phys. Rev. B 76, Page (2007)
Badiur Rahaman, Harald O. Jeschke, Roser Valentí, and T. Saha-Dasgupta
Microscopic model for the frustrated Cu II-spin tetrahedron-based Cu4Te5O12X4 (X=Cl, Br) systems

Phys. Rev. B 75, 024404 (2007)
Harald O Jeschke, L Andrea Salguero, Badiur Rahaman, Christian Buchsbaum, Volodymyr Pashchenko, Martin U Schmidt, Tanusri Saha-Dasgupta and Roser Valentí
Microscopic modeling of a spin crossover transition

New J. Phys. 9, 448 (2007)
A. Brühl, B. Wolf, V. Pashchenko, M. Anton, C. Gross, W. Assmus, R. Valenti, S. Glocke, A. Klümper, T. Saha-Dasgupta, B. Rahaman, and M. Lang
Effects of Two Energy Scales in Weakly Dimerized Antiferromagnetic Quantum Spin Chains

Phys. Rev. Lett. 99, 057204 (2007)
Badiur Rahaman and T Saha-Dasgupta
Electronic structure and microscopic model of V2GeO4F2 - a quantum spin system with S = 1

J. Phys.: Condens. Matter 19, 29620 (2007)
J. S. Kim, Wenhui Xie, R. K. Kremer, V. Babizhetskyy, O. Jepsen, K. S. Ahn, B. Raquet, H. Rakoto, and J.-M. Broto ,B. Ouladdiaf and A. Simon
Strong electron-phonon coupling in the rare-earth carbide superconductor La2C3

Phys. Rev. B76 , Page (2007)

Arita R., A. Yamasaki, K. Held, J. Matsuno, K. Kuroki
Sr2VO4 and Ba2VO4 under pressure: An orbital switch and potential d1 superconductor
Phys. Rev. B 75 (2007), 174521

Arita R., A. Yamasaki, K. Held, J. Matsuno, K. Kuroki
Design of a d1-analogue of cuprates: Sr2VO4 and Ba2VO4 under pressure
J. Phys.: Condens. Matter 19 (2007), 365204
Bishop A.R., A. Bussmann-Holder, O.V. Dolgov, A. Furrer, H. Kanimura, H. Keller, R. Khasanov, R.K. Kremer, D. Manske, K.A. Müller, A. Simon
Real and Marginal Isotope Effects in Cuprate Superconductors
J Supercond Nov Magn 20 (2007), 393-396

Boeri L., G.B. Bachelet, M. Giantomassi, O.K. Andersen
Electron-phonon interaction in Graphite Intercalation Compounds
Phys. Rev. B 76 (2007), 064510

Chioncel L., H. Allmaier, E. Arrigoni, A. Yamasaki, M. Daghofer, M.I. Katsnelson, A.I. Lichtenstein
Half-metallic ferromagnetism and spin polarization in CrO2
Phys. Rev. B 75 (2007), 140406 (R)

Ciuchi S., G. Sangiovanni, M. Capone
Detecting pairing and polarization crossovers in systems with retardaed interactions
Physica C 460-462 (2007), 1157-1158

Gunnarsson O., G. Sangiovanni, O. Rösch, E. Koch, C. Castellani, M. Capone
Polaron formation in cuprates
Physica C 460-462 (2007), 263-266

Gunnarsson O., K. Vafayi
Comment on “Collapse of Coherent Quasiparticle States in Θ-(BEDT-TFF)2I3 Observed by Optical Spectroscopy”
Phys. Rev. Lett. 98 (2007), 219802
Hozoi L., S. Nishimoto, G. Kalosakas, D. B. Bodea, and S. Burdin
Nonlocal interactions in doped cuprates: correlated motion of Zhang-Rice polarons
Phys. Rev. B 75 (2007), 024517

Kim J. S., L. Boeri, J. R. O'Brien, F. S. Razavi, and R. K. Kremer
Superconductivity in Heavy Alkaline-Earth Intercalated Graphites
Phys. Rev. Lett. 99 (2007), 027001

Krockenberger Y., K. Mogare, M. Reehuis, M. Tovar, M. Jansen, G. Vaitheeswaran, V. Kanchana, F. Bultmark, A. Delin, F. Wilhelm, A. Rogalev, A. Winkler, L. Alff
Sr2CrOsO6: End point of a spin-polarized metal-insulator transition by 5d band filling
Phys. Rev. B 75 (2007), 020404(R)
Kulic M.L., O.V. Dolgov
Angle-resolved photoemission spectra of Bi2Sr2CaCu2O8 show a Coulomb coupling ≈1 and an electron-phonon coupling of 2−3
Phys. Rev. B 76 (2007), 132511

Kunstmann J., L. Boeri, W.E. Pickett
Linear response separation of a solid into atomic constituents: Li, Al, and their evolution under pressure
Phys. Rev. B 75 (2007), 075107

Kunstmann J., Q. Quandt, I. Boustani
An approach to contol the radius and chirality of nanotubes
Nanotechnology 18 (2007), 155703
Maksimov E.G., O.V. Dolgov
A note on the possible mechanisms of high-temperature superconductivity
Physics – Uspekhi 50 (9) 933-937 (2007)
Mazin I. I., L. Boeri, O.V. Dolgov, A.A. Golubov, G.B. Bachelet, M. Giantomassi, O.K.Andersen
Unresolved problems in superconductivity of CaC6
Physica C 460-462 (2007), 116-120

Piccin R., D. Laroze, M. Knobel, P. VArgas, M. Vásquez
Magnetostatic interactions between two magnetic wires
EPL 78 (2007), 67004

Poteryaev A.I., J.M. Tomczak, S. Biermann, A. Georges, A.I. Lichtenstein, A.N. Rubtsov, T. Saha-Dasgupta, O.K. Andersen
Enhanced crystal-field splitting and orbital-selective coherence induced by strong correlations in V2O3
Phys. Rev. B 76 (2007), 085127
Raychaudhury M. De, E. Pavarini, O.K. Andersen
Orbital fluctuations in the Different Phases of LaVO3 and YVO3
Phys. Rev. Lett. 99 (2007), 126402
Rösch O., Gunnarsson O.
Electron–phonon interaction in undoped cuprates: Sum rules, vertex corrections and the self-consistent Born approximation
Physica C 460-462 (2007), 1123-1124
Rösch O., G. Sangiovanni, O. Gunnarsson
Sum rules and vertex corrections for electron-phonon interactions
Phys. Rev. B 75 (2007), 035119
Vafayi K., O. Gunnarsson
Analytical continuation of imaginary axis data using statistical sampling
Phys. Rev. B 76 (2007), 035115
Vaitheeswaran G., V. Kanchana, A. Svane, A. Delin
Elastic constants of MgCNi3 – a superconducting perovskite 
Journal of Physics: Condensed Matter 19 (2007), 326214
Xie W., O. Jepsen, O.K. Andersen, Y. Chen, Z.-X. Shen
Insights from Angle-Resolved Photoemission Spectroscopy for an Undoped, Four-Layered, Two-Gap High-Tc Superconductor
Phys. Rev. Lett. 98 (2007), 047001
Zurek E., J. Autschbach
Density Functional Studies of the 13C NMR Chemical Shifts in Single-Walled Carbon Nanotubes

AIP Conf. Proc. 963 (2007), 1425

Zurek E., C.J. Pickard, J. Autschbach
A Density Functional Study of the 13C NMR Chemical Shifts in Functionalized Single-Walled Carbon Nanotubes
J. Am. Chem. Soc. 129 (2007), 4430-4439

Zurek E., J. Autschbach, O.K. Andersen
Downfolding and N-ization of Basis Sets of Slater Type Orbitals

AIP Conf. Proc. 963 (2007), 1421


Publications in the year 2006

Antonov V.N., O. Jepsen, A.N. Yaresko, A.P. Shpak
Electronic structure and x-ray magnetic circular dichroism in the Heusler alloy Co2MnGe
Journal of Applied Physics 100 (2006), 043711
Aryasetiawan F., K. Karlsson, O. Jepsen,  U. Schönberger
Calculations of Hubbard U from first-principles
Phys. Rev. B 74 (2006), 125106, 1-9
Boeri L., J. Kortus, O.K. Andersen
Electron–phonon superconductivity in hole-doped diamond: A first-principles study
Journal of Physics and Chemistry of Solids 67 (2006), 552-556

Boeri L., J. Kortus, O.K. Andersen
Normal and superconducting state properties of B-doped diamond from first-principles
Science and Technology of Advanced Materials 7 (2006) Special Issue 1, S54-S59

Ciuchi S., G. Sangiovanni, M. Capone
Pairing and polarization in electron-boson systems with retarded interactions via dynamical mean-field theory
Phys. Rev. B 73 (2006), 245114
Enders A., N. Malinowski, D. Ievlev, E. Zurek, J. Autschbach, and K. Kern
Magic alkali-fullerene compound clusters of extreme thermal stability
The Journal of Chemical Physics 125 (2006), 191102
Gunnarsson O., O. Rösch
Electron-phonon coupling in the self-consistent Born approximation of the t-J model
Phys. Rev. B 73 (2006), 174521
Gunnarsson O., O. Rösch
Electron-phonon coupling in strongly correlated materials
in: Proceedings of the International School of Physics “Enrico Fermi”, course CLXI. Eds: G. Iadonisi, J. Ranninger, G. de Filippis. IOS Press (2006), 361
Hozoi L., S. Nishimoto
Electron correlations and bond-length fluctuations in layered copper oxides: electron versus hole doping
Phys. Rev. B 73 (2006), 245101
Kanchana V., G. Vaitheeswaran, A. Svane, A. Delin
First-principles study of elastic properties of CeO2, ThO2 and PoO2
Journal of Physics: Condensed Matter 18 (2006), 9615
Kanchana V., G. Vaitheeswaran, M. Alouani
Calculated electronic structure and x-ray magnetic circular dichroism of CrO2
Journal of Physics: Condensed Matter 18 (2006), 5155-5162
Keller T., P. Aynajian, K. Habicht, L. Boeri, S.K. Bose, and B. Keimer
Momentum-Resolved Electron-Phonon Interaction in Lead Determined by Neutron Resonance Spin-Echo Spectroscopy
Phys. Rev. Lett. 96 (2006), 225501
Kim J.S., L. Boeri, R. K. Kremer, F.S. Razavi
Effect of Pressure on Superconducting Ca-intercalated Graphite CaC6
Phys. Rev. B 74 (2006), 214513
Kim J.S., R. K. Kremer, L. Boeri, F. S. Razavi
Specific Heat of the Ca-Intercalated Graphite Superconductor CaC6
Phys. Rev. Lett. 96 (2006), 217002
Kim J.S., R. K. Kremer, O. Jepsen, A. Simon
Electronic and superconducting properties of the binary carbide La2C3
Current Applied Physics 6 (2006), 897-902
Kortus J., A.V. Postnikov
Molecular Nanomagnets
in  Handbook of Theoretical and Computational Nanotechnology, ed. by M. Rieth and W. Schommers, vol.  7 (2006), 503-562. ISBN: 1-58883-049-7
Kunstmann J., A. Quandt
Broad boron sheets and boron nanotubes: An ab initio study of structural, electronic, and mechanical properties
Phys. Rev. B 74 (2006), 035413
Lechermann F., A. Georges, A. Poteryayev, S. Biermann, M. Posternak, A. Yamasaki, O.K. Andersen
Dynamical mean-field theory using Wannier functions: A flexible route to electronic structure calculations of strongly correlated materials
Phys. Rev. B 74 (2006), 125120
Liu X., H. Dilger, R. A. Eichel, J. Kunstmann, E. Roduner
A Small Paramagnetic Platinum Cluster in an NaY Zeolite: Characterization and Hydrogen Adsorption and Desorption
J. Phys. Chem. B 110 (2006), 2013-2023
Nekrasov I.A., K. Held, G. Keller, D.E. Kondakov, Th. Pruschke, M. Kollar, O.K. Andersen, V.I Anisimov, D. Vollhardt
Momentum-resolved spectral functions of SrVO3 calculated by LDA+DMFT
Phys. Rev. B 73 (2006), 155112
Nohara Y., A. Yamasaki, S. Kobayashi, T. Fujiwara
Electronic structure of antiferomagnetic LaMnO3 and the effects of charge polarization
Phys. Rev. B 74 (2006), 064417
Postnikov A.V., J. Kortus, M. Pederson
Density functional studies of molecular magnets
phys. stat. sol. (b) 243 (2006), 2533-2572
Originally posted as Psi-k Highlight (http://psi-k.dl.ac.uk): Psi-k Newsletter 61, February 2004, 127-177
Sangiovanni G., O. Gunnarsson, E. Koch, C. Castellani, M. Capone
Electron-Phonon Interaction and Antiferromagnetic Correlations
Phys. Rev. Lett. 97 (2006), 046404
Sangiovanni G., A. Toschi, E. Koch, K. Held, M. Capone, C. Castellani, O. Gunnarsson, S.-K. Mo, J.W. Allen, H.-D. Kim, A. Sekiyama, A. Yamasaki, S. Suga, P. Metcalf
Static vs. dynamical mean field theory of Mott antiferromagnets
Phys. Rev. B 73 (2006), 205121
Sangiovanni G., M. Capone, C. Castellani
Relevance of phonon dynamics in strongly correlated systems coupled to phonons: Dynamical mean field theory analysis
Phys. Rev. B 73 (2006), 165123
Vafayi K., M. Calandra, O. Gunnarsson
Electronic thermal conductivity at high temperatures: Violation of the Wiedemann-Franz law in narrow-band metals
Phys. Rev. B 74 (2006), 235116
Vaitheeswaran G., V. Kanchana, A. Delin
Electronic structure of the ferromagnetic double-perovskites Sr2CrReO6, Sr2CrWO6, and Ba2FeReO6
Journal of Physics: Conference Series 29 (2006), 50-53
Xu P.X., K. Xia, M. Zwierzycki, M. Talanana, P.J. Kelly
Orientation-Dependent Transparency of Metallic Interfaces
Phys. Rev. Lett. 96 (2006), 176602
selected for the May 22, 2006 issue of Virtual Journal of Nanoscale Science & Technology
Xu P.X., V.M. Karpan, K. Xia, M. Zwierzycki, I. Marushchenko, P.J. Kelly
Influence of roughness and disorder on tunneling magnetoresistance
Phys. Rev. B 73 (2006), 180402 (R)
Yamasaki A., L. Chioncel, A.I. Lichtenstein, O.K. Andersen
Model Hamiltonian parameters for half-metallic ferromagnets NiMnSb and CrO2
Phys. Rev. B 74 (2006), 024419
Yamasaki A., M. Feldbacher, Y.-F. Yang, O.K. Andersen, K. Held
Pressure-Induced Metal-Insulator Transition in LaMnO3 Is Not of Mott-Hubbard Type
Phys. Rev. Lett. 96 (2006), 166401
Zurek E., C.J. Pickard, B. Walczak, J. Autschbach
Density Functional Study of the 13C NMR Chemical Shifts in Small-to-Medium-Diameter Single-Walled Carbon Nanotubes
Journal of Physical Chemistry A 110 (2006), 11995-12004
 



Publications in the year 2005
 

Alam M.S., S. Strömsdorfer, V. Dremov, P. Müller, J. Kortus, M. Ruben, J.-M. Lehn
Addressing the Metal Centers of [2x2] CoII4 Grid-Type Complexes by STM/STS
Angew. Chem. Int. Ed. 44 (2005), 7896-7900
Arnaud B., S. Lebègue, M. Alouani
Excitonic and quasiparticle lifetime effects on silicon electron energy loss spectra from first principles
Phys. Rev. B 71 (2005), 035308, 1-8
Bose S.K., T. Kato, O. Jepsen
Superconductivity in Boron under pressure: A full-potential linear muffin-tin orbitals study
Phys. Rev. B 72 (2005), 184509
Chandra Shekar N.V., M. Rajagopalan, J.F. Meng, D.A. Polvani, J.V. Badding
Electronic structure and thermoelectric power of cerium compounds at high pressure
Journal of Alloys and Compounds 388 (2005), 215-220
Dolgov O.V., R.K. Kremer, J. Kortus, A.A. Golubov, S.V. Shulga
Thermodynamics of two-band superconductors: The case of MgB2
Phys. Rev. B 72 (2005), 024504
Dolgov O.V., I.I. Mazin, A.A. Golubov, S.Y. Savrasov, E.G. Maksimov
Critical Temperature and Enhanced Isotope Effect in the Presence of Paramagnons in Phonon-Mediated Superconductors
Phys. Rev. Lett. 95 (2005), 257003
Drichko N., K. Petukhov, M. Dressel, O. Bogdanova, E. Zhilyaeva, R. Lyubovskaya, A. Greco, J. Merino 
Indications of electronic correlations in the 1/5-filled two-dimensional conductor  beta’’-(BEDO- TTF)5[CsHg(SCN)4]2
Phys. Rev. B 72 (2005), 024524
Gerward L., J. Staun Olsen, L. Petit, G. Vaitheeswaran, V. Kanchana, A. Svane
Bulk modulus of CeO2 and PrO2An experimental and theoretical study
Journal of Alloys and Compounds 400 (2005), 56-61
Giantomassi M., L. Boeri, G.B. Bachelet
Electrons and phonons in the ternary alloy CaAl2–xSix as a function of composition
Phys. Rev. B 72 (2005), 224512
Han J.E., O. Gunnarsson, V.H. Crespi
Superconductivity in Fullerides
in: Frontiers in Superconducting Materials, ed. A.V. Narlikar. Berlin/Heidelberg: Springer  2005, p. 231ff.  ISBN 3-540-24513-8
Han J.E., O. Gunnarsson, E. Koch, V.H. Crespi
Superconductivity in Alkali-Doped Fullerides
in: Superconductivity in Complex Systems, ed. K.A. Müller and A. Bussmann-Holder. Berlin/ Heidelberg/ New York: Springer (2005) , p.71-101
(= Structure and Bonding, vol. 114)
Hozoi L., S. Nishimoto, A. Yamasaki
Near degeneracy and pseudo Jahn-Teller effects in mixed-valence ladders: The phase transition in NaV2O5
Phys. Rev. B 72 (2005), 195117
Hozoi L., S. Nishimoto, A. Yamasaki
Mobile Zhang–Rice singlets: Electron correlations and bond-length fluctuations in copper oxides
Phys. Rev. B 72 (2005), 144510
Kortus J., O. V. Dolgov, R. K. Kremer, A. A. Golubov
Band Filling and Interband Scattering Effects in MgB2: Carbon vs Aluminum Doping
Physical Review Letters 94 (2005), 027002
Kulic M.L., O.V. Dolgov
Forward scattering peak in the electron–phonon interaction and impurity scattering of cuprate superconductors
physica status solidi (b) 242 (2005), 151-178
Kulic M.L., O.V. Dolgov
Dominance of the electron-phonon interaction with forward scattering peak in high-Tc superconductors: Theoretical explanation of the ARPES kink
Phys. Rev. B 71 (2005), 092505
Kunstmann J., A. Quandt
Constricted Boron Nanotubes
Chemical Physics Letters 402 (2005), 21-26
Maksimov E.G., O.V. Dolgov, M.L. Kulić
Electron-phonon interaction with the forward scattering peak and the angle-resolved photoemission spectra isotope shift in Bi2Sr2CaCu2O8
Phys. Rev. B 72 (2005), 212505, 1-4
Majewski P., S. Geprägs, A. Boger, M. Opel, A. Erb, R. Gross, G. Vaitheeswaran, V. Kanchana, A. Delin, F. Wilhelm, A. Rogalev, L. Alff
Magnetic moments of W 5d in Ca2CrWO6 and Sr2CrWO6 double perovskites
Physical Review B 72 (2005), 132402
Park K., M.R. Pederson, T. Baruah, N. Bernstein, J. Kortus, S.L. Richardson, E. Del Barco, A.D. Kent, S. Hill, N.S. Dalal
Incommensurate transverse anisotropy induced by disorder and spin-orbit, vobron coupling in Mn12 acetate
Journal of Applied Physics 97 (2005), 10M505
Pavarini E., A. Yamasaki, J. Nuss, O.K. Andersen
How chemistry controls electron localization in 3D1 perovskites: A Wannier-function study
New J. Phys. 7 (2005), 188
Piligkos S., G. Rajaraman, M. Soler, N. Kirchner, J. van Slageren, R. Bircher, S. Parsons, H.-U. Güdel, J. Kortus, W. Wernsdorfer, G. Christou, E.K. Brechin
Studies of an Enneanuclear Manganese Single-Molecule Magnet
J. Am. Chem. Soc. 127 (2005), 5572-5580
Rajagopalan M.
Structural Phase Transition Induced by Pressure in the Ordered Alloy FeRh
International Journal of Modern Physics B 19 (2005), 3389-3395
Rajagopalan M.,  N.V. Chandra Shekar, P.Ch. Sahu
Electronic structure and structural stability of ThGa2 under pressure: an ab initio study
Philosophical Magazine Letters 85 (2005), 27–32
Rajagopalan M.,  N.V. Chandra Shekar, P.Ch. Sahu
Theoretical investigation of the electronic structure and structural phase stability of CeGa2 under pressure
Physica B 355 (2005), 59-63

Rösch O., J.E. Han, O. Gunnarsson, V.H. Crespi

Interplay between electron-phonon and electron-electron interactions

physica status solidi (b) 242 (2005), 118-132
Rösch O., O. Gunnarsson
Dispersion of incoherent spectral features in systems with strong electron-phonon coupling
European Physical Journal B 43 (2005), 11-18
Rösch O., O. Gunnarsson, X.J. Zhou, T. Yoshida, T. Sasagawa, A. Fujimori, Z. Hussein, Z.-X. Shen, S. Uchida
Polaronic Behavior of Undoped High-Tc Cuprate Superconductors from Angle-resolved Photoemission Spectra
Physical Review Letters 95 (2005), 227002
Saha K.K., A. Mookerjee, O. Jepsen
Electronic structure of random binary alloys: An augmented space formulation in reciprocal space
Physical Review B 71 (2005), 094207, 1-10
Svane A., V. Kanchana, G. Vaitheeswaran, G. Santi, W.M. Temmerman, Z. Szotek, P. Strange, L. Petit
Electronic structure of samarium monopnictides and monochalcogenides
Physical Review B 71 (2005), 045119
Tsetseris L., O. Jepsen
Relativistic Nth order muffin-tin orbital theory
Physical Review B 71 (2005), 195115
Vaitheeswaran G., V. Kanchana, A.Delin
Pseudo-half-metallicity in the double perovskite Sr2CrReO6 from density-functional calculations
Applied Physics Letters 86 (2005), 032513
Zurek E., O. Jepsen, O.K. Andersen
Muffin-tin Orbital Wannier-Like Functions for Insulators and Metals
ChemPhysChem 6 (2005), 1934-1942


Publications in the year 2004

Baruah T., J. Kortus, M.R. Pederson, R. Wesołowski, J.T. Haraldsen, J.L. Musfeldt, J.M. North, D. Zipse, N.S. Dalal
Understanding the electronic structure, optical, and vibrational properties of the Fe8Br8 single molecule magnet
Phys. Rev. B 70 (2004), 264410
Block T., M.J. Carey, B.A. Gurney, O. Jepsen
Band-structure calculations of the half-matallic ferromagnetism and structural stability of full- and half-Heusler phases
Phys. Rev. B 70 (2004), 205114, 1-5
Boeri L., J. Kortus, O.K. Andersen
Three-Dimensional MgB2-Type Superconductivity in Hole-Doped Diamond
Physical Review Letters 93 (2004), 237002
Boris A.V., N.N. Kovaleva, O.V. Dolgov, T. Holden, C.T. Lin, B. Keimer, C. Bernhard
In-Plane Spectral Weight Shift of Charge Carriers in Yba2Cu3O6.9
Science 304 (2004), 708-710
Bugoslavsky Y., Y. Miyoshi, G.K. Perkins, A.D. Caplin, L.F. Cohen, H.Y. Zhai, H.M. Christen, A.V. Pogrebnyakov, X.X. Xi, O.V. Dolgov
Superconducting gap structure and pinning in disordered MgB2 films
Supercond. Sci. Technol. 17 (2004), S350-S354
Daghero D., R .S. Gonnelli, G.A. Ummarino, O.V. Dolgov, J. Kortus, A.A. Golubov, S.V. Shulga
The determination of the electron-phonon interaction from tunneling data in the two-band superconductor MgB2
Physica C 408-410 (2004), 353-354
Dressel M., N. Drichko, J. Schlueter, O. Bogdanova, E. Zhilyaeva, R. Lyubovskaya, A. Greco and J. Merino
Influence of electronic correlations and band-filling on the charge-ordering effects in two-dimensional organic conductors investigated by infrared spectroscopy
J. Phys. IV 114 (2004) 183
Fleck M., A.I. Lichtenstein, M.G. Zacher, W. Hanke, A.M. Oles
On the nature of the magnetic transition in a Mott insulator
Eur. Phys. J. B 37 (2004), 439-446
Gieck C., V. Derstroff, T. Block, C. Felser, G. Regelsky, O. Jepsen, V. Ksenofontov, P. Gütlich, H. Echert, W. Tremel
An Inorganic Double Helix Sheathing Alkali Metal Cations: Anb2P2S12 (A=K, Rb, Cs), A Series of Thiophosphates Close to the Metal-Nonmetal Boundary—Chalcogenide Analogues of Transition-Metal Phosphate Bronzes?
Chem. Eur. J. 10 (2004), 382-391
Gunnarsson O.
Alkali-doped  fullerides. Narrow-band solids with unusual properties
World Scientific, Singapore, 2004. XVII, 282 p., hardcover. ISBN 981-238-667-X
Koch E., R. Zeyher
Renormalization of the electron-phonon coupling in the one-band Hubbard model
Phys. Rev. B 70 (2004), 094510, 1-6
Mazin I.I., O.K. Andersen, O. Jepsen, A.A. Golubov, O.V. Dolgov, J. Kortus
Comment on "First-principles calculation of the superconducting transition in MgB2 within the anisotropic Eliashberg formalism"
Phys. Rev. B 69 (2004), 056501, 1-3
Merino J., O. Gunnarsson 
Simple model for scanning tunneling spectroscopy of noble metal surfaces with adsorbed Kondo impurities 
Phys. Rev. B 69 (2004), 115404, 1-10
Merino J., O. Gunnarsson
Role of Surface States in Scanning Tunneling Spectroscopy of (111) Metal Surfaces with Kondo Adsorbates
Phys. Rev. Lett. 93 (2004), 156601, 1-4
Merino J.,A. Greco, R.H. McKenzie, M. Calandra
Dynamical properties of a strongly correlated model für quarter-filled layered organic molecular crystals
Phys. Rev. B 68 (2004), 245121, 1-15
Merino J., J.B. Marston 
Dynamical 1/N approach to time-dependent currents through quantum dots 
Phys. Rev. B 69 (2004), 115304, 1-12
Pavarini E., S. Biermann, A.P. Poteryaev, A.I. Lichtenstein, A. Georges, O.K. Andersen
Mott Transition and Suppression of Orbital Fluctuations in Orthorombic 3d1 Perovskites
Phys. Rev. Lett. 92 (2004), 176403, 1-4
Postnikov A.V., J. Kortus, M. Pederson
Density functional Studies of Molecular Magnets
Psi-k Newsletter 61, February 2004, 127-177
Rösch O., O. Gunnarsson
Apparent electron-phonon interaction in strongly correlated systems
Phys. Rev. Lett. 93 (2004), 237001
Rösch O., O. Gunnarsson
Electron-phonon interaction in the t - J model
Phys. Rev. Lett. 92 (2004), 146403, 1-4
Rösch O., O. Gunnarsson
Electron-phonon interaction in the three-band model
Phys. Rev. B 70 (2004), 224518, 1-7
Staun Olsen J., L. Gerward, V. Kanchana, G. Vaitheeswaran
The bulk modulus of ThO2 – an experimental and theoretical study
J of Alloys and Compounds 381 (2004), 37-40
Svane A., G. Santi, Z. Szotek, W. M. Temmerman, P. Strange, M. Horne, G. Vaitheeswaran, V. Kanchana, L. Petit, H. Winter
Electronic Structure of Sm and Eu chalcogenides
physica status solidi (b) 241 (2004), 3185-3192
Yanson I.K., S.I. Beloborod’ko, Yu.G. Naidyuk, O.V. Dolgov, A.A. Golubov 
Phonon self-energy effects in the superconducting energy gap of MgB2 point-contact spectra
Phys. Rev. B 69, 100501(R), 1-4
Zijlstra E.S.
Electronic structure of the octagonal tiling
Journal of Non-Crystalline Solids 334&335 (2004), 126–129
Zijlstra E.S., J. Kortus, M. Krajci, Z.M. Stadtnik, S.K. Bose
Structure, electronic density of states and electric field gradients of icosahecral AlCuFe: An ab initio study of the original and a modified Cockayne model
Phys. Rev. B 69, 094206, 1-7
Zurek E., J. Autschbach
Density Functional calculations of the 13C NMR chemical shifts in (9,0) single-walled carbon nanotubes
J Am Chem Soc 126 (2004), 13079-13088



Publications in the year 2003
 

Ahlert S., W. Klein, O. Jepsen, O. Gunnarsson, O.K. Andersen, M. Jansen
Ag13OsO6: A Silver Oxide with Interconnected Icosahedral Ag134+ Clusters and Dispersed [OsO6]4– Octahedra
Angew. Chem. Int. Ed. 42 (2003), 4322-4325
Andersen O.K., T. Saha-Dasgupta, S. Ezhov
Third-generation muffin-tin orbitals
Bull. Mater. Sci. 26 (2003), 19-26
Barticevic Z., P. Vargas, M. Pacheco, D. Altbir 
Perturbation potential produced by a monolayer of InAs on GaAs(100) 
Phys. Rev. B 68, 155306, 1-5
Bose S.K., O.V. Dolgov, J. Kortus, O. Jepsen, O.K. Andersen
Pressure dependence of electron-phonon coupling and superconductivity in hcp Fe: A linear response study
Phys. Rev. B 67, 214518, 1-11
Calandra M., O. Gunnarsson 
Violation of Ioffe-Regel condition but saturation of resistivity of the High TC cuprates
Europhys. Lett. 61 (2003), 88-94
Dolgov O.V., R.S. Gonnelli, G.A. Ummarino, A.A. Golubov, S.V. Shulga, J. Kortus 
Extraction of the electron-phonon interaction from tunneling data in the multigap superconductor MgB2
Phys. Rev. B 68 (2003), 132503, 1-4
Dressel M., N. Drichko, J. Schlueter, J. Merino 
Competition between Charge Ordering and Superconductivity in Layered Organic Conductors a-(BEDT-TTF)2MHg(SCN)4 (M=K, NH4)
Phys. Rev. Lett. 90 (2003), 167002, 1-4
Farault G., R. Gautier, C. F. Baker, A. Bowman, D. H. Gregory
Crystal Chemistry and Electronic Structure of the Metallic Ternary Nitride, SrTiN2
Chemistry of Materials 15 (2003), 3922-3929
Feldbacher M., F.F. Assaad. F. Hébert, G.G. Batrouni 
Coexistence of s-Wave Superconductivity and Antiferromagnetism
Phys. Rev. Lett. 91 (2003), 056401, 1-4
Gunnarsson O., M. Calandra, J.E. Han
Saturation of electrical resistivity
Rev. Mod. Phys. 75 (2003), 1085-1099
Gunnarsson O., K. Schönhammer 
Comment on "Bethe Ansatz Results for the 4f-Electron Spectra of a Degenerate Anderson Model" 
Phys. Rev. Lett. 90 (2003), 099701, 1
Han J.E., O. Gunnarsson, V.H. Crespi
Strong superconductivity with local Jahn-Teller phonons in C60 solids
Phys. Rev. Lett. 90 (2003), 167006, 1-4
Koch E., O. Gunnarsson
Possibility of Coupling to haloform molecules in intercalated C60
Phys. Rev. B 67 (2003), 161402(R)
Koch E., O. Gunnarsson, S. Wehrli, M. Sigrist
Field-doping of C60 crystals: A view from theory
AIP Conference Proceedings 685 (2003), 66-72
Kortus J., M.R. Pederson, T. Baruah, N. Bernstein, C.S. Hellberg
Density functional studies of single molecule magnets
Polyhedron 22 (2003), 1871-1876
Lebègue S., M. Alouani, B. Arnaud, W.E. Pickett 
Pressure-Induced Simultaneous Metal-Insulator and Structural-Phase Transitions in LiH: a Quasiparticle Study
Europhys. Lett., 63 (2003), 562-568
Merino J., A. Greco, R.H. McKenzie, M. Calandra 
Dynamical properties of a strongly correlated model for quarter-filled layered organic molecular crystals 
Phys. Rev. B 68 (2003), 245121
Nguyen-Manh D., T. Saha-Dasgupta, O.K. Andersen 
Tight-binding model for carbon from the third-generation LMTO method: A study of transferability
Bull. Mater. Sci. 26 (2003), 27-32
Postnikov A.V., J. Kortus, S. Blügel
Ab initio Simulations of Fe-based Ferric Wheels
Molecular Physics Reports 38 (2003), 56-63
Sokolov A.V., E.Z. Kurmaev, S. Leitch, A. Moewes, J. Kortus, L.D. Finkelstein, N.A. Skorikov, C. Xiao, A. Hirose
Band dispersion of MgB2, graphite and diamond from resonant inelastic scattering
J. Phys.: Condens. Matter 15 (2003) 2081-2089
Ummarino G.A., R.S. Gonnelli, O.V. Dolgov, S.V. Shulga
Electron-Phonon Spectral Function and Two-Band Model in Tunneling Measurements on MgB2
International Journal of Modern Physics B 17 (2003), 643-648
Wehrli S., E. Koch, M. Sigrist 
Field doping of C60 crystals: Polarization and Stark splitting
Phys. Rev. B, 68 (2003), 115412
Zijlstra E.S., S.K. Bose
Detailed ab initio electronic structure study of two approximants to Al-Mn based icosahedral quasicrystals
Phys. Rev. B, 67 (2003), 224204


 

Publications in the year 2002
 

Aryasetiawan F., Gunnarsson O.
Exchange-correlation kernel in time-dependent density functional theory
Phys. Rev. B 66 (2002), 165119, 1-7
Aryasetiawan F., Gunnarsson O., Rubio A.
Excitation energies from time-dependent density-functional formalism for small systems
Europhys. Lett. 57 (2002), 683-689
Brinkman A., A.A. Golubov, H. Rogalla, O.V. Dolgov, J. Kortus, Y. Kong, O. Jepsen, O.K. Andersen 
Multiband model for tunneling in MgB2 junctions
Phys. Rev. B 65 (2002), 180517(R), 1-4
Calandra M., O. Gunnarsson 
Electrical resistivity at large temperatures: Saturation and lack thereof
Phys. Rev. B 66 (2002), 205105, 1-20
Calandra M., J. Merino, H. McKenzie 
Metal-insulator transition and charge ordering in the extended Hubbard model at one-quarter filling
Phys. Rev. B 66 (2002), 195102
Dinnebier R.E., O. Gunnarsson, H. Brumm, E. Koch, P.W. Stephens, A. Huq, M. Jansen
Structure of Haloform Intercalated C60 and Its Influence on Superconductive Properties
Science 296 (2002), 109-113
Dolgov O.V., M.L. Kulic
Optical properties of heavy fermion systems with spin-density-wave order
Phys. Rev. B 66 (2002), 134510, 1-7
Gautier R., O.K. Andersen, P. Gourgeon, J.-F. Halet, E. Canadell,  J.D. Martin
Electronic Structure, Electrical and Magnetic Properties of RMo8O14 Compounds (R = La, Ce, Pr, Nd, Sm) Containing Bicapped Mo8 Clusters
Inorg. Chem. 41 (2002), 4689-4699
Golubov A.A., J. Kortus, O.V. Dolgov, O. Jepsen, Y. Kong, O.K. Andersen, B.J. Gibson, K. Ahn, R.K. Kremer 
Specific heat of MgB2 in a one- and a two-band model from first-principles calculations
Journal of Physics: Condensed Matter 14 (2002), 1353-1360
Golubov A.A., A. Brinkmann, O.V. Dolgov, J. Kortus, O. Jepsen 
Multiband model for penetration depth in MgB2
Phys. Rev. B 66 (2002), 054524, 1-5
Kakehashi Y., O. Jepsen, N. Kimura
Ground state electronic structure calculations of the multiple spin density wave state in g-Fe
Phys. Rev. B 65 (2002), 134418, 1-10
Karakozov A.E., E.G. Maksimov, O.V. Dolgov
Electromagnetic response of superconductors and optical sum rule
Solid State Communications 124 (2002), 119-124
Koch E.
Enhancing Tc in field-doped Fullerenes by applying uniaxial stress
Phys. Rev. B 66 (2002), 081401(R), 1-3
Koitzsch A., M.S. Golden, J. Fink, K. Karlsson, O. Jepsen, O. Gunnarsson, L.L. Miller, H. Eisaki, S. Uchida, G. Yang, S. Abell 
Core-hole screening response in two-dimensional cuprates: A high-resolution x-ray photoemission study
Phys. Rev. B 66 (2002), 024519, 1-13
Kortus J., T. Baruah, N. Bernstein, M. Pederson 
Magnetic ordering, electronic structure and magnetic anisotropy energy in the high-spin Mn10 single molecule magnet
Phys. Rev. B 66 (2002), 092403, 1-4
Kurmaev E.Z., I.I. Lyakhovskaya, J. Kortus, A. Moewes, N. Miyata, M. Demeter, M. Neumann, M. Yanagihara, M. Watanabe, T. Muranaka, J. Akimitsu
Electronic structure of MgB2: X-ray emission and absorption studies
Phys. Rev. B 65 (2002), 134509, 1-4
Kuz´menko A.B., F.P. Mena, H.J.A. Molegraaf, D. van der Marel, B. Gorshunov, M. Dressel, I.I. Mazin, J. Kortus, O.V. Dolgov, T. Muranaka, J. Akimitsu
Manifestation of multiband optical properties of MgB2
Solid State Communications 121 (2002), 479-484
Mazin I.I., J. Kortus 
Interpretation of de Haas – van Alphen experiments in MgB2
Phys. Rev. B 65 (2002), 180510(R), 1-4
Mazin I.I., O.K. Andersen, O. Jepsen, O.V. Dolgov, J. Kortus, A.A. Golubov, A.B. Kuz'menko, D. van der Marel
Superconductivity in MgB2: Clean or Dirty?
Phys. Rev. Lett. 89 (2002), 107002, 1-4
Maksimov, E.G., J. Kortus, O.V. Dolgov, I.I. Mazin
Comment on "Implications of reflectivity measurements on the mechanism for superconductivity in MgB2"
Phys. Rev. Lett. 89 (2002), 129703, 1
Pavarini E., O. Jepsen, O.K. Andersen
Contact field trend in hole-doped cuprates
Physica B 312-313 (2002), 39-41
Pederson M.R., N. Bernstein, J. Kortus
Fourth-Order Magnetic Anisotropy and Tunnel Splittings in Mn12 from Spin-Orbit-Vibron Interactions
Phys. Rev. Lett. 89 (2002), 097202, 1-4
Pederson M.R., J. Kortus, S.N. Khanna
Electronic-structure-based investigation of magnetism in the Fe8 molecular magnet
J. Appl. Phys. 91 (2002), 7149-7151
Resta R. 
Why are insulators insulating and metals conducting? 
J.Phys.: Condens. Matter 14 (2002), R625-656
Valdés J.E., P. Vargas, C. Denton, N.R. Arista
Energy loss straggling of low-velocity protons and deuterons channeled in Au <100>
Nuclear Instruments and Methods in Physics Research B 193 (2002), 43-48
Vargas P., D. Altbir, M. Knobel, D. Laroze
Thermodynamics of Two Dimensional Magnetic Nanoparticles
Europhys. Lett. 58 (2002), 603-609
Zijlstra E. S. 
Limited Conductivity of an Octagonal Quasicrystal 
Phys. Rev. B 66 (2002), 214202, 1-5


 

Publications in the year 2001

Andersen O.K., T. Saha-Dasgupta, S. Ezhov, L. Tsetseris, O. Jepsen, R.W. Tank, C. Arcangeli, G. Krier 
Third-generation MTOs
Psi-k Newsletter #45 (June 2001), 86-119
Benedetti P., J. van den Brink, E. Pavarini, A. Vigilante, P. Wochner 
Ab initio calculation of resonant X-ray scattering in Manganites
Phys. Rev. B 63 (2001), 060408, 1-4
Calandra M., O. Gunnarsson 
Saturation of Electrical Resistivity in Metals at Large Temperatures
Phys. Rev. Lett. 87 (2001), 266601, 1-4
Danylenko, O.V., O.V. Dolgov 
Nonadiabatic Contribution to the Quasiparticle Self-Energy in Systems with Strong Electron-Phonon Interaction
Phys. Rev. B 63 (2001), 094506, 1-9
Fleck M., A.I. Lichtenstein, A.M. Oles
Spectral properties and pseudogap in stripe phases of cuprate superconductors
Phys. Rev. B 64 (2001), 134528, 1-19
Gibson B.J., R.K. Kremer, O. Jepsen, J.D. Garrett, R-D Hoffmann, R. Pöttgen
Structure and chemical bonding of UAuGe
J. Phys.:Condens. Matter 13 (2001), 3123-3137
Gunnarsson O., K. Schönhammer, J.W. Allen, K. Karlsson, O. Jepsen 
Information from photoemission spectral weights and shapes
Journal of Electron Spectroscopy and Related Phenomena 117-118 (2001), 1-11
Kakehashi Y., N. Kimura, O. Jepsen 
Tight-binding LMTO calculations on the stability of a new multiple spin-density-wave state in g-Fe
Journal of Magnetism and Magnetic Materials 226-230 (2001), 394-396
Kobayashi K., A. Fujimori, T. Ohtani, I. Dasgupta, O. Jepsen, O.K. Andersen
Electronic Structure of the Chevrel-Phase Compounds SnxMo6Se7.5: Photoemission Spectroscopy and Band-structure Calculations
Phys. Rev. B 63 (2001), 195109, 1-7
Koch E.
C60: Supraleitung bei 117 K, Tendenz steigend
Physikalische Blätter 57 (2001), Nr. 11, S. 23
Koch E.
Static Overscreening and nonlinear response in the Hubbard Model
Phys. Rev. B 64 (2001), 165113, 1-9
Koch E.
C60: Supraleitung bei 52 K
Physikalische Blätter 57 (2001), Nr. 2, S. 16-17
Koch E., S.Goedecker
Locality properties and Wannier functions for interacting systems
Solid State Comm 119 (2001), 105-109
Kong Y., O.V. Dolgov, O. Jepsen, O.K. Andersen
Electron-phonon interaction in the normal and superconducting states of MgB2
Phys. Rev. B 64 (2001), 020501 (R), 1-4
Liu A.Y., I.I. Mazin, J. Kortus
Beyond Eliashberg superconductivity in MgB2: anharmonicity, two-phonon scattering, and multiple gaps
Phys. Rev. Lett. 87 (2001), 087005, 1-4
Maksimov E.G., D.Yu. Savrasov 
Lattice stability and superconductivity of the metallic hydrogen at high pressure
Solid State Comm 119 (2001), 569-572
Oudovenko V.S., S. Savrasov 
Linear-response calculation of dynamical spin susceptibility in doped CaCuO2
Phys. Rev. B 63 (2001), 132401, 1-4
Pavarini E., I. Dasgupta, T. Saha-Dasgupta, O. Jepsen, O.K. Andersen
Band-Structure Trend in Hole-Doped Cuprates and Correlation with Tcmax
Phys. Rev. Lett. 87 (2001), 047003, 1-4
Szotek Z., B.L. Gyorffy, W.M. Temmerman, O.K. Andersen, O. Jepsen
Quasiparticles in d–wave superconductors
J. Phys.:Condens. Matter 13 (2001), 8625-8652
Vargas P., E. Muñoz, L. Rodriguez
Second Virial Coefficient for the Lennard–Jones Potential
Physica A 290 (2001), 92-100


 
 

Publications in the year 2000

Allen J. W., Gweon G. -H., Schek H. T., Liu L. -Z., Tjeng L. H., Park J. H., Ellis W. P., Chen C. T., Gunnarsson O., Jepsen O., Andersen O. K., Dalichaouch Y., Maple M. B.
Kondo Resonance Behavior of Heavy Fermion f-electron materials.
Journal of Applied Physics 87 6088-6091, 2000.
Andersen O.K., T. Saha-Dasgupta 
Muffin-Tin Orbitals of Arbitrary Order
Physical Review B 62 R16219-R16222, 2000.
Andersen O. K., Saha-Dasgupta T., Tank R. W., Arcangeli C., Jepsen O., Krier G.
Developing the MTO formalism.
in: Electronic Structure and Physical Properties of Solids. The Uses of the LMTO Method, ed. H. Dreyssé. Berlin/Heidelberg: Springer (2000). Lect. Notes Phys. 535 3-84, 2000.
Barentzen H., Oudovenko V.
A self-consistent analytic theory of the spin bipolaron in the t-J model.
International Journal of Modern Physics B 14 809-35, 2000.
Benoist R., P. Carra, O.K. Andersen 
Band structure and atomic sum rules for x-ray dichroism
European Physical Journal B 18, 193-196, 2000.
Dolgov O. V., Schopohl N.
Transition radiation of moving Abrikosov vortices.
Physical Review B 61 12389-93, 2000.
Dudarev S. L., Castell M. R., Botton G. A., Savrasov S. Y., Muggelberg C., Briggs G. A. D., Sutton A. P., Goddard D. T.
Understanding STM images and EELS spectra of oxides with strongly correlated electrons: a comparison of nickel and uranium oxides.
Micron 31 363-372, 2000.
Dudarev S.L., Peng L.-M., Savrasov S.Y., Zuo J.-M.
Correlation effects in the ground-state charge density of Mott insulating NiO: A comparison of ab initio calculations and high-energy electron diffraction measurements.
Physical Review B 61 2506-12, 2000.
Fleck M., Lichtenstein A. I., Pavarini E., Oles A. M.
One-Dimensional Metallic Behavior of the Stripe Phase in La2-xSrxCuO4
Physical Review Letters 84 4962-4965, 2000.
Gunnarsson O.
Superconductivity in C60: The hole story
Nature 408, 528-529, 2000
Gunnarsson O., Han J. E.
The mean free path for electron conduction in metallic fullerenes.
Nature 405 1027-1030, 2000.
Gunnarsson O., J.E. Han
Resistivity of metallic A3C60 (A= K, Rb): No lower limit to the mean free path?
in: Electronic Properties of Novel Materials—Molecular Nanostructures, ed. H. Kuzmany et al. Melville, NY (2000), 9-13. AIP Conference Proceedings vol. 544
Han J.E., Gunnarsson O.
Phonon spectral function for an interacting electron-phonon system.
Physical Review B 61 8628-30, 2000.
Han J.E., Gunnarsson O.
Metal–insulator transitions in systems with electron–phonon and Coulomb interactions
Physica B 292, 196-207, 2000
Han J.E., Koch E., Gunnarsson O.
Metal-insulator transitions: influence of lattice structure, Jahn-Teller effect, and Hund's rule coupling.
Physical Review Letters 84 1276-9, 2000.
Henrion W., Rebien M., Birdwell A. G., Antonov V. N., Jepsen O.
Optical interband spectra and band structure of Ru2Si3 and Ru2Ge3.
Thin Solid Films 364 171-176, 2000.
Karlsson K., O. Gunnarsson, O. Jepsen
Core level chemical shifts and line shapes for systems with different valencies and Cu-O networks
International Journal of Modern Physics B 14, 3791-3830, 2000
Katsnelson M.I., Lichtenstein A.I.
First-principles calculations of magnetic interactions in correlated systems
Physical Review B 61, 8906-8912, 2000
Koch E., Gunnarsson O.
One-electron bands, quantum Monte Carlo, and real superconductors.
Physica A 280 166-73, 2000.
Koch E., Gunnarsson O., Martin R.M.
Metal-insulator transitions in generalized Hubbard models.
Computer Physics Communications 127 137-42, 2000.
Koch E., Gunnarsson O., Martin R. M.
Screening of a point charge: a fixed-node diffusion Monte Carlo study.
Springer Proceedings in Physics 85 22-36, 2000.
Kong Y.
Electronic Structure and Magnetism of Equiatomic FeN
J Phys: Condens. Matter 12 4161-73, 2000.
Kong Y., Jepsen O.
Lattice vibrations and structural instability in Cesium near the cubic to tetragonal transition
J Phys: Condens. Matter 12 8973-8982, 2000.
Korotin M. A., Anisimov V. I., Sahadasgupta T., Dasgupta I.
Electronic structure and exchange interactions of the ladder vanadates CaV2O5 and MgV2O5.
Journal of Physics: Condensed Matter 12 113-124, 2000.
Kulic M.L., O.V. Dolgov
The Electron-Phonon Interaction Renormalized by Strong Correlations: The Way to HTS
Physica C 341-348, 111-112, 2000
Oshikiri M., F. Aryasetiawan
Quasiparticle Energy Calculations on II(Zn)-IV(O, Se, Se) and III(Al,Ga)-V(N) Semiconductors in the Wurtzite Structure
Journal of the Physical Society of Japan 69 (2000), 2113-2120
Oudovenko V. S., Savrasov S. Y., Andersen O. K.
On the Fermi surface geometry and antiferromagnetism of YBa2Cu3O6+x
Physica C 336 157-161, 2000.
Schönhammer K., Meden V., Metzner W., Schollwöck U., Gunnarsson O.
Boundary effects on one-particle spectra of Luttinger liquids.
Physical Review B 61 4393-4396, 2000.
Schwarz U., Jepsen O., Syassen K. 
Electronic structure and bonding in the Cmca phases of Si and Cs.
Solid State Communications 113 643-8, 2000.
Szotek Z., Gyorffy B. L., Temmerman W. M., Andersen O. K., Jepsen O.
A Semiphenomenological Approach for Description of Quasiparticles in High Temperature Superconductors
in: New Developments in High Temperature Superconductivity. Eds. J. Klamut, B. W. Veal, B. M. Dabrowski, P.W. Klamut, M. Kazimierski. Berlin/Heidelberg: Springer (2000), 123-156 , 2000.
Tank R.W., Arcangeli C.
An introduction to the third-generation LMTO method.
Physica Status Solidi B 217 89-130, 2000.
Valdés J. E., Agurto C., Ortega F., Vargas P., Labbé R., Arista N. R.
Energy loss of protons at low velocities in Pd and Au polycrystalline thin films.
Nuclear Instruments & Methods in Physics Research B 164-165 268-271, 2000.
Yang B., C.Y. Tai, K. Marasinghe, G.C. Waddill, O.A. Pringle, W.J. James, Y. Kong 
Structural, electronic, and magnetic properties of LaNi5-xTx (T=Fe,Mn) compounds
Phys. Rev. B 63 (2000), 014407 1-7


 
 

Publications in the year 1999

Ahn J. S., Bak J., Choi H. S., Noh T. W., Han J. E., Bang Y., Cho J. H., Jia Q. X.
Spectral evolution in (Ca,Sr)RuO3 near the Mott-Hubbard Transition.
Physical Review Letters 82 5321-5324, 1999.
Barentzen H., Oudovenko V.
A self-consistent analytic treatment of two holes in the t-J model.
Europhysics Letters 47 227-32, 1999.
Fleck M., Lichtenstein A. I., Olés A. M.
Metallic stripes in doped Hubbard model.
in: High Temperature Superconductivity, ed. S. E. Barnes et al., AIP (1999), 45-58 , 1999.
Fleck M., Lichtenstein A.I., Olés A.M., Hedin L. 
Spectral and transport properties of doped Mott-Hubbard systems with incommensurate magnetic order.
Physical Review B 60 5224-43, 1999.
Fleck M., Lichtenstein A.I., Olés A.M., Hedin L.
Optical properties of doped antiferromagnets.
Journal of Superconductivity 12 147-9, 1999.
Fleck M., Vandenbrink J., Lichtenstein A. I., Olés A. M., Hedin L.
Quasiparticle broadening in insulating copper oxides.
Physica B 261 729-731, 1999.
Gunnarsson O., Han J. E.
Raman line shapes in A3C60 (A = K, Rb): effects of orientational disorder on phonon spectra.
in: Recent advances in the chemistry and physics of fullerenes and related materials. Eds. P. V. Kamat, D. M. Guldi, K. M. Kadish. Pennington, N. J. (1999), 588-596 (Proceedings Vol. 99-12. The Electrochemical Society) , 1999.
Han J.E., Gunnarsson O., Eyert V.
Phonon line shape in disordered A3C60 (A=K, Rb).
Physical Review B 60 6495-501, 1999.
Henrion W., Rebien M., Antonov V. N., Jepsen O.
Optical characterization of Ru2Si3 and Ru2Ge3 by various spectroscopic methods and by band structure calculations.
Solid State Phenomena 67-8 471-476, 1999.
Karlsson K., Gunnarsson O., Jepsen O.
Cuprate core-level line shapes for different Cu-O networks.
Physical Review Letters 82 3528-3531, 1999.
Kheifets A. S., Lun D. R., Savrasov S. Y.
Full-potential linear-muffin-tin-orbital calculation of electron momentum densities of solids.
Journal of Physics: Condensed Matter 11 6779-6792, 1999.
Koch E., Gunnarsson O., Martin R.M.
Filling dependence of the Mott transition in the degenerate Hubbard model.
Physical Review B 60 15714-20, 1999.
Koch E., Gunnarsson O., Martin R.M.
Optimization of Gutzwiller wave functions in quantum Monte Carlo.
Physical Review B 59 15632-40, 1999.
Koch E., Gunnarsson O., Martin R.M.
Screening, Coulomb pseudopotential, and superconductivity in alkali-doped fullerenes.
Physical Review Letters 83 620-3, 1999.
Koch E., Gunnarsson O., Martin R. M.
Fixed-node DMC for fermions on a lattice: application to the doped fullerides.
in: Quantum Monte Carlo Methods in Physics and Chemistry, eds. M. P. Nightingale, C. J. Umrigar. Dordrecht: Kluwer Academic, 1998, 447-462 (Nato-ASI Workshop, Ithaca NY, 1998) , 1999.
Lee J.D., Gunnarsson O., Hedin L.
The transition from the adiabatic to the sudden limit in core-level photoemission: A model study of a localized system.
Physical Review B 60 8034-49, 1999.
Manghi F., Bellini V., Osterwalder J., Kreutz T. J., Aebi P., Arcangeli C.
Correlation effects in the low-energy region of nickel photoemission spectra.
Physical Review B 59 R10409 (Rapid comm.), 1999.
Meregalli V., Savrasov S.Y.
Electron-phonon coupling and properties of doped BaBiO3.
Journal of Superconductivity 12 185-7, 1999.
Miglio L., Meregalli V., Jepsen O.
Strain dependent gap nature of epitaxial beta-FeSi2 in silicon by first principles calculations.
Applied Physics Letters 75 385-387, 1999.
Oshikiri M., Aryasetiawan F.
Band gaps and quasiparticle energy calculations on ZnO, ZnS, and ZnSe in the zinc-blende structure by the GW approximation.
Physical Review B 60 10754-7, 1999.
Pavarini E., Andreani L.C.
Competition between Coqblin-Schrieffer and local exchange interactions in Kondo systems by the perturbative renormalization group.
Physical Review B 59 8828-34, 1999.
Pavarini E., Andreani L. C.
Coqblin-Schrieffer versus local exchange coupling: a perturbative renormalization group study.
Physica B 259-261 198-199, 1999.
Pederson M. R., Laouini N.
Properties of the TDAE molecule within density-functional theory.
Journal of Cluster Science 10 557-571, 1999.
Plakida N. M., Oudovenko V. S.
Electron spectrum and superconductivity in the t-J model at moderate doping.
Physical Review B 59 11949-11961, 1999.


 
 

Publications in the year 1998

Altbir D., Vargas P., Cartes J., Vogel E.
Magnetization jumps in the +/-J spin glass model.
Revista Mexicana de Fisica 44 78-80, 1998.
Altbir D., Vargas P., Castro J. D. E., Raff U.
Dipolar interaction and magnetic ordering in granular metallic materials.
Physical Review B 57 13604-13609, 1998.
Andersen O.K., Arcangeli C., Tank R.W., Saha-Dasgupta T., Krier G., Jepsen O., Dasgupta I.
Third-generation TB-LMTO.
in: Tight-Binding Approach to Computational Materials Science.Edited by L. Colombo, A. Gonis, and P. Turchi, MRS Symposia Proceedings No. 91 (Materials Research Society, Pittsburgh 1998), p. 3-34 , 1998.
Antonov V.N., Jepsen O., Henrion W., Rebien M., Stauss P., Lange H.
Electronic structure and optical properties of beta -FeSi2.
Physical Review B 57 8934-8, 1998.
Aryasetiawan F., Gunnarsson O.
The GW method.
Reports on Progress in Physics 61 237-312, 1998.
Bónoli F., Iannuzzi M., Miglio L., Meregalli V.
Electronic origin of the stability trend in TiSi2 phases with Al or Mo layers.
Applied Physics Letters 73 1964-1966, 1998.
Boucher F., Rousseau R.
Bonding and Electronic Properties of Cs3Te22.
Inorganic Chemistry 37 2351-2357, 1998.
Danylenko O. V., Dolgov O. V., Kulic M. L., Oudovenko V.
Normal and superconducting state in the presence of forward electron-phonon and impurity scattering.
European Physical Journal B 9 201-206, 1999.
Dudarev S. L., Botton G. A., Savrasov S. Y., Humphreys C. J., Sutton A. P.
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study.
Physical Review B 57 1505-1509, 1998.
Dudarev S. L., Botton G. A., Savrasov S. Y., Szotek Z., Temmerman W. M., Sutton A. P.
Electronic structure and elastic properties of strongly correlated metal oxides from first principles: LSDA+U, SIC-LSDA and EELS study of UO2 and NiO.
Physica Status Solidi A 166 429-443, 1998.
Felser C., Köhler J., Simon A., Jepsen O., Svensson G., Cramm S., Eberhardt W.
Metal valence states in Eu0.7NbO3, EuNbO3, and Eu2Nb5O9 by TB-LMTO-ASA band-structure calculations and resonant photoemission spectroscopy
Physical Review B 57 1510-1514, 1998.
Grimaldi M. G., Coffa S., Spinella C., Marabelli F., Galli M., Miglio L., Meregalli V.
Correlation between structural and optical properties of ion beam synthesized beta-FeSi2 precipitates in Si.
Journal of Luminescence 80 467-471, 1998.
Gunnarsson O.
Electronic correlation in doped fullerides
Bull. Am. Phys. Soc. 43 353, 1998.
Gunnarsson O., Erwin S.C., Koch E., Martin R.M.
Role of alkali atoms in A4C60.
Physical Review B 57 2159-62, 1998.
Gunnarsson O., Koch E., Martin R.M.
Mott transition and superconductivity in alkali-doped fullerides.
in: Electronic Properties of novel Materials. Eds. H. Kuzmany, J. Fink, M. Mehring, S. Roth. Woodbury, NY: AIP, 287-291 (CP442) (1998 Kirchberg Winterschool Proc.) , 1998.
Gunnarsson O., Koch E., Martin R.M., Aryasetiawan F.
Correlation effects in doped C60 compounds
in: Molecular nanostructures. Proceedings of the International Winterschool onElectronic Properties of Novel Materials. Singapore: World Scientific 229-234 , 1998.
Gunnarsson O., Koch E., Martin R. M.
Superconductivity in doped C60 compounds.
in: Pair Correlations in Many-Fermion Systems, ed. by V. Z. Kresin, New York: Plenum (1998), 155-172 , 1998.
Gyorffy B. L., Szotek Z., Temmerman W. M., Andersen O. K., Jepsen O.
Quasiparticle spectra of high-temperature superconductors.
Physical Review B 58 1025-1042, 1998.
Han J. E., Jarrell M., Cox D. L.
Multi-orbital Hubbard model in infinite dimensions: Quantum Monte Carlo calculation.
Physical Review B 58 R4199-R4202, 1998.
Henrion W., Rebien M., Antonov V. N., Jepsen O., Lange H.
Optical characterization of Ru2Si3 by spectroscopic ellipsometry, UV-VIS-NIR spectroscopy and band structure calculations.
Thin Solid Films 313-314 218-221, 1998.
Jepsen O., Andersen O.K., Dasgupta I., Savrasov S.
Buckling and d-wave pairing in HiTc superconductors.
Journal of the Physics and Chemistry of Solids 59 1718-22, 1998.
Koch E.
Periodic orbit theory for realistic cluster potentials.
Physical Review B 58 2329-39, 1998.
Koch E., Gunnarsson O., Martin R.M.
Quantum Monte-Carlo calculations for integer-doped fullerides
in Molecular nanostructures. Proceedings of the International Winterschool on Electronic Properties of Novel Materials. Singapore: World Scientific, 235-238 , 1998.
Koch E., Gunnarsson O., Martin R.M.
Dielectric screening in doped Fullerides.
in: Electronic Properties of novel Materials. Eds. H. Kuzmany, J. Fink, M. Mehring, S. Roth. Woodbury, NY: AIP, 292-295 (CP442) (1998 Kirchberg Winterschool Proc.) , 1998.
Maksimov E. G., Savrasov D. Y., Dolgov O. V., Savrasov S. Y.
Energy dependence of quasiparticle and transport relaxation rates in metals.
Solid State Communications 106 409-413, 1998.
Manghi F., Bellini V., Rontani c., Arcangeli C.
On-site correlation in narrow band materials
in: Tight-Binding Approach to Computational Materials Science. Edited by L. Colombo, A. Goni, and P. Turchi, MRS Symposia Proceedings No. 491 (Materials Research Society, Pittsburg 1998), p. 179-184 , 1998.
Meregalli V., Savrasov S.Y.
Electron-phonon coupling and properties of doped BaBiO3.
Physical Review B 57 14453-69, 1998.
Miglio L., Meregalli V.
Theory of FeSi2 direct gap semiconductor on Si(100).
Journal of Vacuum Science & Technology B 16(3) 1604-1609, 1998.
Müller T. F. A., Anisimov V., Rice T. M., Dasgupta I., Saha-Dasgupta T.
Electronic structure of ladder cuprates.
Physical Review B 57 R12655-12658 Rapid Comm., 1998.
Nguyen-Manh D., Pettifor D. G., Sithole H. M., Ngoepe P. E., Arcangel C., Tank R., Jepsen O.
Electronic structure, pressure dependence and optical properties of FeS2
in: Tight-Binding Approach to Computational Materials Science. Edited by L. Colombo, A. Gonis, and P. Turchi, MRS Symposia Proceedings No. 491 (Materials Research Society, Pittsburgh 1998), p. 401-406 , 1998.
Nguyen-Manh D., Tsymbal E. Yu., Pettifor D. G., Arcangeli C., Tank R., Andersen O. K., Pasturel A.
Spin-polarized density of states and electron tunnelling from the Co/Al2O3 interface
in: Microscopic Simulation of Interfacial Phenomena in Solids and Liquids. Edited by S. R. Phillpot, P. D. Bristow, D. G. Stroud, J. R. Smith, MRS Symposia Proceedings No. 492 (Materials Research Society, Pittsburgh 1998), p. 319-324 , 1998.
Savrasov S.Y.
Linear response calculations of spin fluctuations.
Physical Review Letters 81 2570-3, 1998.
Schnering H.G. von, Grin Yu., Kaupp M., Somer M., Kremer R.K., Jepsen O., Chatterji T., Weiden M.
Redetermination of the crystal structure of sodium vanadate, alpha '-NaV2O5.
Zeitschrift fur Kristallographie - New Crystal 213 246, 1998.
Szotek Z., Gyorffy B. L., Temmerman W. M., Andersen O. K.
Van Hove scenario and the eight-band model for high-Tc superconductors.
Physical Review B 58 522-526, 1998.
Van den Brink J., Gunnarsson O., Eyert V.
Optical conductivity in A3C60 (A=K,Rb).
Physical Review B 57 2163-7, 1998.


 
 

Publications in the year 1997

Aryasetiawan F.
GW method for 3d and 4f systems.
Physica B 237 321-323, 1997.
Aryasetiawan F., Gunnarsson O., Koch E., Martin R. M.
Pauli susceptibility of A3C60 (A=K,Rb).
Physical Review B 55 R10165-R10168, 1997.
Bose S. K., Drchal V., Kudrnovsky J., Jepsen O., Andersen O. K.
Theoretical study of ordering in Fe-Al alloys based an a density-functional generalized-perturbation method.
Physical Review B 55 8184-8193, 1997.
Dasgupta I., Saha-Dasgupta T., Mookerjee A.
Augmented space recursion method for the calculation of electronic structure of random alloys.
in: Properties of Complex Inorganic Solids, ed. Gonis et al., New York: Plenum 63-68 , 1997.
Dasgupta I., Saha-Dasgupta T., Mookerjee A., Das G. P.
Study of transition metal aluminide alloys.
Journal of Physics: Condensed Matter 9 3529-3541, 1997.
Felser C., Cramm S., Johrendt D., Mewis A., Jepsen O., Hohlneicher G., Eberhardt W., Andersen O.K.
A new view of valence instabilities in europium compounds: van Hove singularity in EuPdP.
Europhysics Letters 40 85-91, 1997.
Guizzetti G., Marabelli F., Patrini M., Pellegrino P., Pivac B., Miglio L., Meregalli V., Lange H., Henrion W., Tomm V.
Measurement and simulation of anisotropy in the infrared and Raman spectra of beta-FeSi2 single crystals.
Physical Review B 55 14290-14297, 1997.
Gulden T., Henn R.W., Jepsen O., Kremer R.K., Schnelle W., Simon A., Felser C.
Electronic properties of the yttriumdicarbide superconductors YC2, Y1-xThxC2, Y1-xCaxC2 (0 < x <= 0.3).
Physical Review B 56 9021-9, 1997.
Gunnarsson O.
Electron self-energy in A3C60 (A=K, Rb): effects of t1u plasmons in the GW approximation.
Journal of Physics: Condensed Matter 9 5635-41, 1997.
Gunnarsson O.
Superconductivity in fullerides.
Reviews of Modern Physics 69 575-606, 1997.
Gunnarsson O.
Effects of nonstoichiometry in A3-xC60 (A= K, Rb).
in: Recent Advances in the Chemisty and Physics of Fulleres and related Materials. Eds. K. M. Kadish, R. S. Ruoff. Electrochemistry Society Proceedings 97-42, 488-494 , 1997.
Gunnarsson O.
Hubbard model with orbital degeneracy and integer or noninteger filling.
Zeitschrift fur Physik B 104 279-87, 1997.
Gunnarsson O., Koch E.
Discrete Hubbard-Stratonovich transformations for systems with orbital degeneracy.
Physics Letters A 235 530-4, 1997.
Gunnarsson O., Koch E., Martin R.M.
Mott-Hubbard insulators for systems with orbital degeneracy.
Physical Review B 56 1146-52, 1997.
Gunnarsson O., Koch E., Martin R.M., Aryasetiawan F.
Metallicity, susceptibility and superconductivity in A3C60 (A=K, Rb).
Electrochemical Society Proceedings 97-14, 1040-1054 , 1997.
Holm B., Aryasetiawan F.
Self-consistent cumulant expansion for the electron gas.
Physical Review B 56 12825-12831, 1997.
Hönle W., Grin Y., Burkhardt A., Wedig U., Schultheiss M., von Schnering H.G., Kellner R., Binder H.
Syntheses, crystal structures, and electronic structure of the boron halides B9X9 (X=Cl,Br,I).
Journal of Solid State Chemistry 133 59-67, 1997.
Johrendt D., Felser C., Jepsen O., Andersen O. K., Mewis A., Rouxel J.
LMTO band structure calculations of ThCr2Si2-type transition metal compounds.
Journal of Solid State Chemistry 130 254-265, 1997.
Maksimov E. G., Savrasov D. Y., Savrasov S. Y.
The Electron-phonon interaction and the physical properties of metals.
Physics - Uspekhi 40 337-358, 1997.
Manghi F., Bellini V., Arcangeli C.
On-site correlation in valence and core states of ferromagnetic nickel.
Physical Review B 56 7149-7153, 1997.
Mazin I.I., Anisimov V.I.
Insulating gap in FeO: correlations and covalency.
Physical Review B 55 12822-5, 1997.
Mishra S. K., Satpathy S., Aryasetiawan F., Gunnarsson O.
Possible suppression of canted spin order in the double-exchange lanthanum manganites.
Physical Review B 55 2725-2728, 1997.
Mishra S. K., Satpathy S., Jepsen O.
Electronic structure and thermoelectric properties of bismuth telluride and bismuth selenide.
Journal of Physics: Condensed Matter 9 461-470, 1997.
Saha-Dasgupta T., Dasgupta I., Mookerjee A.
Augmented space recursion approach for alloy phase stability
in: Properties of Complex Inorganic Solids, ed. Gonis et al., New York: Plenum (1997), 25-30 , 1997.
Schnelle W., Pöttgen R., Kremer R.K., Gmelin E., Jepsen O.
The crystal structure, magnetic susceptibility, electrical resistivity, specific heat, and electronic band structure of RAuGe (R=Sc,Y,La,Lu).
Journal of Physics: Condensed Matter 9 1435-50, 1997.
Tank R. W., Arcangeli C., Krier G., Andersen O. K., Jepsen O.
Improved LMTO-ASA methods part II. Total energy.
in Properties Complex Inorganic Solids, ed. Gonis et al. New York: Plenum (1997), 233-237 , 1997.
Vargas P., Altbir D.
RKKY interaction between metallic clusters.
Journal of Magnetism and Magnetic Materials 167 161-165, 1997.
Vargas P., Altbir D., Castro J. D. E., Raff U.
Magnetoresistance in granular metallic systems.
Journal of Physics: Condensed Matter 9 9931-9938, 1997.
Zeng W.-S., Heine V., Jepsen O.
The structure of barium in the hexagonal close-packed phase under high pressure.
Journal of Physics: Condensed Matter 9 3489-502, 1997.
Ziesche P., Gunnarsson O., John W., Beck H.
Two-site Hubbard model, the Bardeen-Cooper-Schrieffer model, and the concept of correlation entropy.
Physical Review B 55 10270-10277, 1997.


 
 

Publications in the year 1996

Andersen O.K., Savrasov S.Y., Jepsen O., Liechtenstein A.I.
Out-of-plane instability and electron-phonon contribution to s- and d-wave pairing in high-temperature superconductors; LDA linear-response calculation for doped CaCuO2 and a generic tight-binding model.
Journal of Low Temperature Physics 105 285-304, 1996.
Antonov V. N., Yavorsky B. Y., Shpak A. P., Antonov VI. N., Jepsen O., Guizzetti G., Marabelli F.
Electronic structure and physical poperties of NBSI2.
Physical Review B 53 15631-15637, 1996.
Aryasetiawan F., Gunnarsson O.
3d semicore states in ZnSe, GaAs, and Ge.
Physical Review B 54 17564-17567, 1996.
Aryasetiawan F., Hedin L., Karlsson K.
Multiple plasmon satellites in Na and Al spectral functions from ab initio cumulant expansion.
Physical Review Letters 77 2268-71, 1996.
Bose S.K., Kudrnovsky J., Drchal V., Jepsen O., Andersen O.K.
Ordering tendencies in Fe-Al alloys in magnetic and non-magnetic models.
Materials Science & Engineering B 77 237-41, 1996.
Claessen R., Anderson R. O., Gweon G. H., Allen J. W., Ellis W. P., Janowitz C., Olson C. G., Shen Z. X., Eyert V., Skibowski M., Friemelt K., Bucher E., Hufner S.
Complete band-structure determination of the quasi-2-dimensional Fermi-liquid reference compound TiTe2
Physical Review B 54 2453-2465, 1996.
Dasgupta I., Mookerjee A.
An Augmented space-recursive method for the study of concentration profiles at CuNi alloy surfaces
Journal of Physics: Condensed Matter 8 4125-4137, 1996.
Eyert V.
A comparative study on methods for convergence acceleration of iterative vector sequences.
Journal of Computational Physics 124 271-85, 1996.
Gunnarsson O., Eyert V., Knupfer M., Fink J., Armbruster J.F.
Plasmon dispersion in A3C60 (A=K,Rb).
Journal of Physics: Condensed Matter 8 2557-69, 1996.
Gunnarsson O., Koch E., Martin R. M.
Mott transition in degenerate Hubbard models: application to doped fullerenes.
Physical Review B 54 R11026-R11029, 1996.
Gunnarsson O., Liechtenstein A.I., Eyert V., Knupfer M., Fink J., Armbruster J.F.
Plasmon dispersion and broadening in A3C60 (A=K, Rb).
Physical Review B 53 3455-8, 1996.
Koch E.
Supershells in metal clusters: self-consistent calculations and their semiclassical interpretation.
Physical Review Letters 76 2678-81, 1996.
Koch E.
3n+l quantum number in the cluster problem.
Physical Review A 54 670-6, 1996.
Koch E., Gunnarsson O.
Density dependence of the electronic supershells in the homogeneous jellium model.
Physical Review B 54 5168-77, 1996.
Liechtenstein A.I., Gunnarsson O., Andersen O.K., Martin R.M. 
Quasiparticle bands and superconductivity in bilayer cuprates.
Physical Review B 54 12505-8, 1996.
Liechtenstein A.I., Gunnarsson O., Knupfers M., Fink J., Armbruster J.F.
Plasmon damping and response function in doped C60 compounds.
Journal of Physics: Condensed Matter 8 4001-16, 1996.
Llunel M., Alemany P., Alvarez S., Zhukov V. P., Vernes A.
Electronic structure and bonding in skutterudite-type phosphides
Physical Review B 53 10605-10609, 1996.
Lu W.
Theoretical study on commensurability oscillation in anisotropic antidot lattices.
Physical Review B 54 8049-8056, 1996.
Lu W., Andersen O.K.
Theoretical study on magnetoresistance through rectangular and disordered antidot lattices.
in: Proceedings of the 23rd International Conference on the Physics of Semiconductors, vol. 2. Eds: Scheffler, M.; Zimmermann, R.. Singapore: World Scientific, 1996. p.1509-12}, year = {1996 , 1996.
Lu W., Andersen O. K.
Transport properties in finite antidots system.
in: Proceedings of the 23rd International Conference on the Physics of Semiconductors, vol. 2. Eds: Scheffler, M.; Zimmermann, R.. Singapore: World Scientific, 1996. p. 1497-1500}, year = {1996 , 1996.
Matsuura A. Y., Shen Z. X., Dessau D. S., Park C. H., Thio T., Bennett J. W., Jepsen O.
Electronic structure and the metal-insulator transition in NiS2-xSex
Physical Review B 53 R7584, 1996.
Mryasov O. N., Freeman A. J., Liechtenstein A. I.
Theory of non-Heisemberg exchange-results for localized and itinerant magnets
Journal of Applied Physics 79 4805-4807, 1996.
Nguyen L.H., Goll G., Steep E., Jansen A.G.M., Wyder P., Jepsen O., Heinecke M., Winzer K.
Fermi surface studies of the borocarbide superconductor YNi2B2C.
Journal of Low Temperature Physics 105 1653-8, 1996.
Poëttgen R., Borrmann H., Felser C., Jepsen O., Henn R., Kremer R.K., Simon A.
Crystal and electronic structures of ScAuGe, CeAuGe, and LuAuGe: a transition from two- to three-dimensional [AuGe] polyanions.
Journal of Alloys and Compounds 235 170-5, 1996.
Radtke R. J., Liechtenstein A. I., Yakovenko V. M., Das Sarma S.
Antiferromagnetic interactions and the superconducting gap function
Physical Review B 53 5137-5140, 1996.
Savrasov S.Y.
Linear-response theory and lattice dynamics: a muffin-tin-orbital approach.
Physical Review B 54 16470-86, 1996.
Savrasov S.Y., Andersen O.K.
Linear-response calculation of the electron-phonon coupling in doped CaCuO2.
Physical Review Letters 77 4430-3, 1996.
Savrasov S.Y., Savrasov D.Y.
Electron-phonon interactions and related physical properties of metals from linear-response theory.
Physical Review B 54 16487-501, 1996.
Temmerman W. M., Szotek Z., Gyorffy B. L., Andersen O. K., Jepsen O.
Gap Anisotropy in the Layered High Temperature Superconductors
Physical Review Letters 76 307-310, 1996.
Temmerman W. M., Szotek Z., Gyorffy B. L., Andersen O. K., Jepsen O.
Where is the Cooper Force in High Temperature Superconductors?
HPC Profile 10 6-7, 1996.
Tosatti E., Manini N., Gunnarsson O.
Surprises in the orbital magnetic moment and g factor of the dynamic Jahn-Teller ion C-60-.
Physical Review B 54 17184-17190, 1996.
Ulrich C., Goni A. R., Syassen K., Jepsen O., Cantarero A., Munoz V.
Effect of pressure on direct optical transitions in InSe from photoreflectance spectroscopy.
in: High Pressure Science and Technology, ed. W. A. Trzeiakowski. Singapore: World Scientific (1996) 612-614 , 1996.
Zimmermann U., Burkhardt A., Martin T. P., Malinowski N.
Metal atoms on fullerene molecules.
NATO ASI Ser., Ser. E 316 215-232, 1996.


 
 

Publications in the year 1995

Alden M., Johansson B., Skriver H. L.
SURFACE SHIFT OF THE OCCUPIED AND UNOCCUPIED 4F LEVELS OF THE RARE-EARTH-METALS.
Physical Review B 51 5386-5396, 1995.
Andersen O.K., Jepsen O., Antonov Vl.N., Antonov V.N., Yavorsky B.Yu., Perlov A.Ya., Shpak A.P.
Fermi surface, bonding, and pseudogap in MoSi2.
Physica B 204 65-82, 1995.
Andersen O.K., Liechtenstein A.I., Jepsen O., Paulsen F.
LDA energy bands, low-energy Hamiltonians t', t", tperpendicular to (k), and Jperpendicular to .
Journal of the Physics and Chemistry of Solids 56 1573-91, 1995.
Antropov V. P., Liechtenstein A. I., Harmon B. N.
ELECTRONIC-STRUCTURE AND MAGNETOOPTICAL PROPERTIES OF CESB AND GD.
Journal of Magnetism and Magnetic Materials 144 1161-1162, 1995.
Arcangeli C., Nizzoli F., Liechtenstein A. I.
ELECTRONIC-STRUCTURE AND ELASTIC PROPERTIES OF AU/CR(001) SUPERLATTICES.
Physical Review B 51 4497-4506, 1995.
Aryasetiawan F., Gunnarsson O.
Electronic structure of NiO in the GW approximation.
Physical Review Letters 74 3221-4, 1995.
Golubov A. A., Mazin I. I.
SIGN REVERSAL OF THE ORDER-PARAMETER IN S-WAVE SUPERCONDUCTORS.
Physica C 243 153-159, 1995.
Gunnarsson O.
Jahn-Teller effect and on-site interaction for C60n-.
Physical Review B 51 3493-7, 1995.
Gunnarsson O., Handschuh H., Bechthold P.S., Kessler B., Gantefor G., Eberhardt W.
Photoemission spectra of C60-: electron-phonon coupling, Jahn-Teller effect, and superconductivity in the fullerides.
Physical Review Letters 74 1875-8, 1995.
Gunnarsson O., Liechtenstein A.I., Eyert V., Knupfer M., Fink J., Armbruster J.F.
Plasmon damping and dispersion in doped C60 compounds.
Physics and Chemistry of Fullerenes and Derivatives. Proceedings of the International Winterschool on Electronic Properties of Novel Materials Editor(s): Kuzmany, H.; Fink, J.; Mehring, M.; Roth, S. Singapore: World Scientific, 1995. p.402-7 of xvi+589 pp. 14 refs. Conference: Kirchberg, Austria, 5-12 March 1995 ISBN: 981-02-2380-3 , 1995.
Jepsen O., Andersen O.K.
Calculated electronic structure of the sandwich d1 metals LaI2 and CeI2: application of new LMTO techniques.
Zeitschrift fur Physik B 97 35-47, 1995.
Jepsen O., Mazin I.I., Liechtenstein A.I., Andersen O.K., Rodriguez C.O.
Momentum dependence of the linewidth of Raman-active phonons in the normal state of YBa2Cu3O7.
Physical Review B 51 3961-4, 1995.
Krantz M.C., Mazin I.I., Leach D.H., Lee W.Y., Cardona M.
Normal-state electronic Raman-scattering efficiencies of YBa2Cu3O7- delta , Bi2Sr2CaCu2O8, and Tl2Ba2Ca2Cu3O10: effects of local-density- approximation Fermi-surface mass fluctuations.
Physical Review B 51 5949-54, 1995.
Kulic M. L., Goreatchkovski E., Lichtenstein A. I., Mehring M.
NMR RELAXATION RATES IN SUPERCONDUCTORS WITH (IN)COMMENSURATE MAGNETIC ORDER - A MODEL INSPIRED BY HIGH-T-C SUPERCONDUCTORS.
Physica C 252 27-48, 1995.
Kulic M. L., Lichtenstein A. I., Goreatchkovski E., Mehring M.
EXTENDED S-WAVE AND GAPLESS SUPERCONDUCTIVITY DUE TO ANTIFERROMAGNETISM A MODEL INSPIRED BY HTS.
Physica C 244 185-192, 1995.
Laouini N., Andersen O.K., Gunnarsson O.
Analytical molecular orbitals and band structures of solid C60.
Physical Review B 51 17446-78, 1995.
Lichtenstein A.I., Kulic M.L.
Electron-boson interaction can help d wave pairing. Self-consistent approach.
Physica C 245 186-92, 1995.
Liechtenstein A. I., Anisimov V. I., Zaanen J.
Density-functional theory and strong interactions: orbital ordering in Mott-Hubbard insulators.
Physical Review B 52 R5467-R5470, 1995.
Liechtenstein A.I., Mazin I.I.
Quantitative model for the superconductivity suppression in R1-xPrxBa2Cu3O7 with different rare earths.
Physical Review Letters 74 1000-3, 1995.
Liechtenstein A.I., Mazin I.I., Andersen O.K.
s-wave superconductivity from an antiferromagnetic spin-fluctuation model for bilayer materials.
Physical Review Letters 74 2303-6, 1995.
Mazin I.I., Liechtenstein A.I., Ivanov O.V.
Breathing instability and disproportionation of Bi4+ ions in BaBiO3.
(Conference Procees. Williamsburg Workshop, February 1994) Ferroelectrics 164 169-75, 1995.
Runge E.K.R., Albers R.C., Christensen N.E., Zwicknagl G.E.
Electronic structure of CeRu2Si2.
Physical Review B 51 10375-85, 1995.
von Schnering H. G., Gil R. H. C., Hoenle W., Burkhardt A., Krier G., Andersen O. K.
The stabilization of the Rb- ion in Na16Rb7Sb7 = Na16(RbRb6)Sb7.
Angewandte Chemie, International Edition in English 34 103-5, 1995.
Schonberger U., Aryasetiawan F.
Bulk and surface electronic structures of MgO.
Physical Review B 52 8788-93, 1995.
Schonhammer K., Gunnarsson O., Noack R. M.
DENSITY-FUNCTIONAL THEORY ON A LATTICE - COMPARISON WITH EXACT NUMERICAL RESULTS FOR A MODEL WITH STRONGLY CORRELATED ELECTRONS.
Physical Review B 52 2504-2510, 1995.
Zimmermann U., Malinowski N., Burkhardt A., Martin T.P. 
Metal-coated fullerenes.
Carbon 33 995-1006, 1995.


 
 

Publications in the year 1994

Andersen O.K.
Fullerenes: The Classical Profile of a Major Scientific Breakthrough
europhysics news 25 1011, 1994.
Andersen O. K., Jepsen O., Krier G.
Exact muffin-tin orbital theory.
in: Lectures on Methods of Electronic Structure Calculations, eds.: V. Kumar, O. K. Andersen, A. Mookerjee. Singapore, World Scientific , 1994.
Andersen O.K., Jepsen O., Liechtenstein A.I., Mazin I.I.
Plane dimpling and saddle-point bifurcation in the band structures of optimally doped high-temperature superconductors: a tight-binding model.
Physical Review B 49 4145-57, 1994.
Antonov V. N., Yavorsky B. Y., Nemoshkalenko V. V., Antonov VI. N., Jepsen O., Andersen O. K., Haanappel E. G., Vosgerau M., Joss W., Wyder P., Madar R., Rouault A.
FERMI-SURFACE OF PD2SI.
Physical Review B 49 17022-17028, 1994.
Arcangeli C., Jepsen O.
Calculated magnetic properties of Gd/W superlattices.
Journal of Magnetism and Magnetic Materials 132 318-22, 1994.
Aryasetiawan F., Gunnarsson O.
Product-basis method for calculating dielectric matrices.
Physical Review B 49 16214-22, 1994.
Aryasetiawan F., Gunnarsson O.
Linear-muffin-tin-orbital method with multiple orbitals per L channel.
Physical Review B 49 7219-32, 1994.
Aryasetiawan F., Gunnarsson O., Knupfer M., Fink J.
Local-field effects in NiO and Ni.
Physical Review B 50 7311-21, 1994.
Aryasetiawan F., Karlsson K.
Energy loss spectra and plasmon dispersions in alkali metals: negative plasmon dispersion in Cs.
Physical Review Letters 73 1679-82, 1994.
Blöchl P. E., Jepsen O., Andersen O. K.
IMPROVED TETRAHEDRON METHOD FOR BRILLOUIN-ZONE INTEGRATIONS.
Physical Review B 49 16223-16233, 1994.
Bose S. K., Jepsen O., Andersen O. K.
AN ELECTRONIC-STRUCTURE AND RESISTIVITY CALCULATION FOR LIQUID LA.
Journal of Physics: Condensed Matter 6 2145-2158, 1994.
Brandow B. H.
VALENCE-FLUCTUATION MECHANISM FOR CUPRATE SUPERCONDUCTIVITY.
International Journal of Modern Physics. B 8 2667-2719, 1994.
Gunnarsson O., Antropov V.P., Fink J., Golden M.S., Knupfer M., Liechtenstein A.I., Merkel M., Rainer D., Zwicknagl G.
Electron-phonon coupling, Coulomb pseudo potential .mu.* and physical properties of C60 compounds.
NATO ASI Ser., Ser. C 8 443, 1994.
Gunnarsson O., Meden V., Schönhammer K.
Corrections to Migdal's theorem for spectral functions: a cumulant treatment of the time-dependent Green's function.
Physical Review B 50 10462-73, 1994.
Gunnarsson O., Meden V., Schoenhammer K.
Corrections to Migdal's theorem for photoemission spectra.
in: Progress in Fullerene Research, eds. H. Kuzmany, J. Fink, M. Mehring, S. Roth. singapore: World Scientific , 1994.
Häussermann U., Wengert S., Hofmann P., Savin A., Jepsen O., Nesper R.
LOCALIZATION OF ELECTRONS IN INTERMETALLIC PHASES CONTAINING ALUMINUM.
Angewandte Chemie, International Edition in English 106 2147-2150, 1994.
Heinemann M., Temmerman W. M.
MAGNETIC-STRUCTURES OF HCP BULK GADOLINIUM.
Physical Review B 49 4348-4351, 1994.
Liechtenstein A.I., Mazin I.I., Andersen O.K.
Why suppression of Tc in Ln1-xPrxBa2Cu3O7 depends on Ln?.
Physica C 235-240 2121-2, 1994.
Liechtenstein A.I., Mazin I.I., Anderson O.K., Jepsen O.
Theoretical search for bistability of apical oxygen in YBa2Cu3O7.
Philosophical Magazine B 70 643-6, 1994.
Mazin I.I., Liechtenstein A.I., Gunnarsson O., Andersen O.K.
Three-molecular-orbital treatment of the orientational ordering in A3C60.
Solid State Communications 91 497-500, 1994.
Mazin I.I., Liechtenstein A.I., Jepsen O., Andersen O.K., Rodriguez C.O.
Displacive exitation of coherent phonons in YBa2Cu3O7.
Physical Review B 49 9210-13, 1994.
Meden V., Schonhammer K., Gunnarsson O.
ELECTRON-PHONON INTERACTION IN ONE-DIMENSION - EXACT SPECTRAL PROPERTIES.
Physical Review B 50 11179-11182, 1994.
Rodriguez C. O., Liechtenstein A. I., Jepsen O., Mazin [sic.] I., Andersen O. K.
Detailed description of the Fermi surface of YBa2Cu3O7
Computational Materials Science 2 39-48, 1994.
Sangaletti L., Parmigiani F., Ratner E., Shen Z. X., Chemelli C., Jepsen O.
ELECTRONIC-STRUCTURE OF K2NIF4.
Physical Review B 50 17854-17866, 1994.
Savrasov S.Y., Savrasov D.Y., Andersen O.K.
Linear-response calculations of electron-phonon interactions.
Physical Review Letters 72 372-5, 1994.
Szotek Z., Temmerman W.M., Winter H.
Self-interaction corrected, local spin density description of the gamma to alpha transition in Ce.
Physical Review Letters 72 1244-7, 1994.
Zimmermann U., Burkhardt A., Malinowski N., Naeher U., Martin T. P.
Quantum chemical study of lithium-C60 clusters.
Journal of Chemical Physics 101 2244-49, 1994.


 
 

Publications in the year 1993

Allen J. W., Gunnarsson O.
Crucial but Overlooked Aspects of Photoemission in Small Tk Cerium materials.
Physical Review Letters 70 1180, 1993.
Andersen O.K., Mazin I.I., Liechtenstein A.I., Jepsen O., Antropov V.P., Rashkeev S. N., Anisimov V. I., Zaanen J., Rodriguez R. O., Methfessel M.
Density Functional Theory for Phonons, Electrons, and their Interaction in YBa2Cu3O7
in: High-Temperature Superconductivity (Conference proceedings BHTSC '92), eds. Z. Z. Gan, S. S. Xie, Z. X. Zhao. Singapore: World Scientific (1993), 785-794 , 1993.
Antonov V. N., Bagljuk A. I., Perlov A. Y., Nemoshkalenko V. V., Antonov V. N., Andersen O. K., Jepsen O.
CALCULATED OPTICAL-PROPERTIES OF HEAVY-METALS .3. ACTINIDES.
FIZIKA NIZKIKH TEMPERATUR 19 792-804, 1993.
Antonov V. N., Bagljuk A. I., Perlov A. Y., Nemoshkalenko V. V., Antonov V. N., Andersen O. K., Jepsen O.
CALCULATED OPTICAL-PROPERTIES OF HEAVY-METALS .2. HCP 5D METALS.
FIZIKA NIZKIKH TEMPERATUR 19 786-791, 1993.
Antonov V. N., Bagljuk A. I., Perlov A. Y., Nemoshkalenko V. V., Antonov V. N., Andersen O. K., Jepsen O.
CALCULATED OPTICAL-PROPERTIES OF HEAVY-METALS .1. RELATIVISTIC FORMALISM AND CUBIC 5D METALS.
FIZIKA NIZKIKH TEMPERATUR 19 689-703, 1993.
Antonov V. N., Yavorsky B. Y., Nemoshkalenko V. V., Antonov V. N., Jepsen O., Andersen O. K.
THE FERMI-SURFACE OF PD2SI.
FIZIKA NIZKIKH TEMPERATUR 19 1234-1239, 1993.
Antropov V.P., Gunnarsson O., Liechtenstein A.I.
Phonons, electron-phonon, and electron-plasmon coupling in C60 compounds.
Physical Review B 48 7651-64, 1993.
Antropov V.P., Mazin I.I., Andersen O.K., Liechtenstein A.I., Jepsen O.
Dominance of the spin-dipolar NMR relaxation mechanism in fullerene superconductors.
Physical Review B 47 12373-6, 1993.
Bakonyi I., Ebert H., Liechtenstein A.I.
Electronic structure and magnetic susceptibility of the different structural modifications of Ti, Zr, and Hf metals.
Physical Review B 48 7841-9, 1993.
Bose S. K., Jepsen O., Andersen O. K.
REAL-SPACE CALCULATION OF THE ELECTRICAL-RESISTIVITY OF LIQUID 3D TRANSITION-METALS USING TIGHT-BINDING LINEAR MUFFIN-TIN ORBITALS.
Physical Review B 48 4265-4275, 1993.
Bose S. K., Satpathy S., Jepsen O.
SEMICONDUCTING CSSNBR3.
Physical Review B 47 4276-4280, 1993.
Bruhwiler P. A., Maxwell A. J., Nilsson A., Martensson N., Gunnarsson O.
AUGER AND PHOTOELECTRON STUDY OF THE HUBBARD U IN C-60, K3C60, AND K6C60.
Physical Review B 48 18296-18299, 1993.
Burkhardt A., Wedig U., von Schnering H. G., Savin A.
The electron localization function in closo boron clusters.
Zeitschrift fur Anorganische und Allgemeine Chemie 619 437-41, 1993.
Dronskowski R., Blochl P.E.
Crystal orbital Hamilton populations (COHP). Energy-resolved visualization of chemical bonding in solids based on density-functional calculations.
Journal of Physical Chemistry 97 8617-24, 1993.
Golden M. S., Knupfer M., Merkel M., Fink J, Gunnarsson O., Antropov V.P.
High-Resolution Photoemission Studies of A3C60 (A = K, Rb)
in: Electronic Properties of Fullerenes. eds. Kuzmany, H.; Fink, J.; Mehring, M.; Roth, S. Berlin, Germany: Springer (1993) 114-118 , 1993.
Jackson K., Kaxiras E., Pederson M. R.
ELECTRONIC STATES OF GROUP-IV ENDOHEDRAL ATOMS IN C-28.
Physical Review B 48 17556-17561, 1993.
Jepsen O., Karlsson K., Gunnarsson O.
Electronic structure and photoemission spectra of Cu compounds.
Japanese Journal of Applied Physics, Supplement 32 212-16, 1993.
Jepsen O., Andersen O. K.
The Electronic Structure of h. c. p. Ytterbium
Solid State Comm. 88 871-875, 1993.
Knupfer M., Merkel M., Golden M. S., Fink J., Gunnarsson O., Antropov V. P.
SATELLITES IN THE PHOTOEMISSION SPECTRA OF A3C60 (A = K AND RB).
Physical Review B 47 13944-13947, 1993.
Krasovskii E. E., Nemoshkalenko V. V., Antonov V. N.
ON THE ACCURACY OF THE WAVE-FUNCTIONS CALCULATED BY LAPW METHOD.
Zeitschrift fur Physik D 91 463-466, 1993.
Liechtenstein A.I., Mazin I.I., Gunnarsson O., Andersen O.K., Burkov S.E., Antropov V.P.
Orientational order in A3C60: effects on valence bands and infrared optical spectra.
Electronic Properties of Fullerenes. Proceedings of the International Winterschool on Electronic Properties of Novel Materials Editor(s): Kuzmany, H.; Fink, J.; Mehring, M.; Roth, S. Berlin, Germany: Springer-Verlag, 1993. p.211-18 of xiii+436 pp. 20 refs. Conference: Krichberg, Austria, 6-13 March 1993 ISBN: 3-540-57415-8 , 1993.
Mazin I.I., Dolgov O.V., Golubov A., Shulga S.V.
Strong-coupling effects in alkali-metal-doped C60.
Physical Review B 47 538-41, 1993.
Mazin I.I., Liechtenstein A.I., Gunnarsson O., Andersen O.K., Antropov V.P., Burkov S.E.
Orientational order in A3C60: antiferromagnetic Ising model for the FCC lattice.
Physical Review Letters 70 4142-5, 1993.
Mazin I.I., Liechtenstein A.I., Rodriguez C.O., Jepsen O., Andersen O.K.
Superconducting and transport electron-phonon coupling constants in YBa2Cu3O7: effect of the interband anisotropy.
Physica C 209 125-8, 1993.
Molodtsov S. L., Gutierrez A., Navas E., Domke M., Kaindl G., Merkel M., Nucker N., Fink J., Antropov V. P., Andersen O. K., Jepsen O.
RESONANT PHOTOEMISSION-STUDY OF K-DERIVED VALENCE-BAND STATES IN KXC60.
Zeitschrift fur Physik D 92 347-351, 1993.
Pederson M. R., Laouini N.
COVALENT CONTAINER COMPOUND - EMPTY, ENDOHEDRAL, AND EXOHEDRAL C-28 COMPLEXES.
Physical Review B 48 2733-2737, 1993.
Quong A. A., Pederson M. R., Feldman J. L.
First Principles Determination of the Interatomic Force-Constant Tensor of the Fullerene Molecule
Solid State Comm. 87 535-539, 1993.
Rodriguez C.O., Liechtenstein A.I., Mazin I.I., Jepsen O., Andersen O.K.
Electronic susceptibility of YBa2Cu3O7 and its relation to phonon anomalies.
Journal of Physics: Condensed Matter 5 A377-80, 1993.
Savrasov S. Y.
Calculated phonon dispersions in niobium using fastly convergent density functional perturbation theory.
International Journal of Modern Physics. B 7 197-202, 1993.
Yan M., Sob M., Luzzi D. E., Vitek V., Ackland G. J., Methfessel M., Rodriguez C. O.
INTERATOMIC FORCES AND ATOMIC-STRUCTURE OF GRAIN-BOUNDARIES IN COPPER-BISMUTH ALLOYS.
Physical Review B 47 5571-5582, 1993.


 
 

Publications in the year 1992

Amiotti M., Guizzetti G., Marabelli F., Piaggi A., Antonov V. N., Antonov VI. N., Jepsen O., Andersen O. K., Borghesi A., Nava F., Nemoshkalenko V. V., Madar R., Rouault A.
OPTICAL-PROPERTIES OF PD2SI.
Physical Review B 45 13285-13292, 1992.
Andersen O. K., Postnikov A. V., Savrasov S. Y.
The muffin-tin-orbital point of view.
in: Applications of Multiple Scattering Theory to Materials Science, eds. W. H. Butler, P. H. Dederichs, A. Gonis, R. L. Weaver. Pittsburgh: MRS (1992), 37-70 (= MRS Symposium Proceedings, vol. 253) , 1992.
Andersen O. K., Jepsen O., Sob M.
Linearized Band Structure Methods
Unpublished. Revised version of "Linearized Band Structure Methods", in: Electronic Band Structure and Its Applications, ed. M. Yussouff. Lecture Notes in Physics 283, Springer 1987 , 1992.
Anisimov V. I., Korotin M. A., Zaanen J., Andersen O. K.
Spin Bags, Polarons and Impurity Potentials in LA2-xSRxCUO4 from First Principles.
Physical Review Letters 68 345-348, 1992.
Antropov V. P., Liechtenstein A. I.
Calculations of spin-wave energy gap in transition metals.
in: Applications of Multiple Scattering Theory to Materials Science, eds. W. H. Butler, P. H. Dederichs, A. Gonis, R. L. Weaver. Pittsburgh: MRS (1992), 325-328 (= MRS Symposium Proceedings, vol. 253) , 1992.
Antropov V.P., Gunnarsson O., Jepsen O.
Coulomb integrals and model Hamiltonians for C60.
Physical Review B 46 13647-50, 1992.
Aryasetiawan F., von Barth U.
Dielectric response and quasiparticle energies in nickel.
Physica Scripta Volume T 46 270-1, 1992.
Bellani V., Guizzetti G., Marabelli F., Piaggi A., Borghesi A., Nava F., Antonov VI. N., Antonov V. N., Jepsen O., Andersen O. K., Nemoshkalenko V. V.
THEORY AND EXPERIMENT ON THE OPTICAL-PROPERTIES OF CRSI2.
Physical Review B 46 9380-9389, 1992.
Boebinger G. S., Palstra T. T. M., Passner A., Rosseinsky M. J., Murphy D. W., Mazin I. I.
EVIDENCE OF UPPER-CRITICAL-FIELD ENHANCEMENT IN K3C60 POWDERS.
Physical Review B 46 5876-5879, 1992.
Bose S. K., Kudrnovsky J., Jepsen O., Andersen O. K.
ELECTRONIC-STRUCTURE OF ORDERED AND DISORDERED CUXPD1-X ALLOYS VIA THE LINEAR-MUFFIN-TIN-ORBITALS METHOD.
Physical Review B 45 8272-8282, 1992.
Braicovich L., Ciccacci F., Puppin E., Svane A., Gunnarsson O.
ULTRAVIOLET INVERSE PHOTOEMISSION FROM IRON MONOXIDE AND SELF-INTERACTION-CORRECTED LOCAL-SPIN-DENSITY CALCULATIONS.
Physical Review B 46 12165-12174, 1992.
Christensen N. E.
First-principles calculations in condensed matter physics: New materials
in: Chemistry of New Materials of Technological Interest, ed. E. Roman Espinoza; o. O., o. J., 151-159 (=Conference Proceedings, Pucon, Chile 1992) , 1992.
Dolgov O. V., Mazin I. I.
GINZBURG-LANDAU ANALYSIS OF SUPERCONDUCTING K3C60.
Solid State Communications 81 935-938, 1992.
Felserwenz C., Hohlneicher G., Andersen O. K., Jepsen O.
INVESTIGATION OF SUBSHELL OCCUPATION IN SOME BA COMPOUNDS BY LMTO-ASA CALCULATIONS.
berichte der Bunsen-Gesellschaft für physikalische Chemie 96 1580-1585, 1992.
Frota-Pessoa S.
First-principles real-space linear-muffin-tin-orbital calculations of 3d impurities in Cu
Physical Review B 46 14570-14577, 1992.
Gopalan S., Gunnarsson O., Andersen O.K.
Effects of saddle-point singularities on the electron lifetime.
Physical Review B 46 11798-806, 1992.
Gunnarsson O.
Resonance photoemission in strongly correlated systems.
Physica Scripta T41 12-18, 1992.
Gunnarsson O.
Model Hamiltonian Parameters from Ab Initio Calculations
in: The Physcis and Chemistry of Oxide Superconductors, eds. Y. Iye and H. Yasuoka. Berlin: Springer (1992), 95-104 , 1992.
Gunnarsson O., Karlsson K., Jepsen O.
Chemical shifts and core level line shapes for monovalent, divalent and trivalent Cu compounds.
in: Synchrotron Radiation and Dynamic Phenomena, ed.: A. Beswick. New York: AIP (1992), 550-564, (= Conference Proceedings No. 258: Grenoble 1991) , 1992.
Gunnarsson O., Rainer D., Zwicknagl G.
Screened interaction and Coulomb pseudo-potential in C60.
International Journal of Modern Physics B 6 3993-4005, 1992.
Gunnarsson O., Zwichnagl G.
Coulomb pseudopotential, screening and superconductivity in C60.
Physical Review Letters 69 957-60, 1992.
Gunnarsson O., Zaanen J.
Impurity-spin screening in low-density Fermi liquids.
Physical Review B 46 15019-30, 1992.
Ivanov O. V., Maksimov E. G.
Microscopical Calculations of Phonons in Polarizable Ion Approach
Physical Review Letters 46 12165-12174, 1992.
Karlsson K., Gunnarsson O., Jepsen O.
Cu 2p chemical shifts for YBa2Cu3O6.5: valence of the Cu atoms.
Physical Review B 45 7559-62, 1992.
Karlsson K., Gunnarsson O., Jepsen O.
Shape of the Cu 2p core level photoemission spectrum for monovalent, divalent and trivalent Cu compounds.
Journal of Physics: Condensed Matter 4 2801-16, 1992.
Karlsson K., Gunnarsson O., Jepsen O.
Chemical shifts for monovalent, divalent and trivalent Cu compounds.
Journal of Physics: Condensed Matter 4 895-909, 1992.
Kircher J., Cardona M., Alouani M., Gopalan S., Jepsen O., Andersen O.K., Kaldis E., Karpinski J., Rusieki S.
Theoretical and experimental investigation of the linear optical response of YBa2Cu4O8. The relevance of LDA calculations.
Physica C 200 413-17, 1992.
Kircher J., Humlicek J., Garriga M., Cardona M., Fuchs D., Habermeier H.-U., Jepsen O., Gopalan S., Andersen O.K., Fang Y., Welp U., Vandervoort K.G., Crabtree G.W.
Interband transitions in YBa2Cu3O7.
Physica C 192 473-80, 1992.
Liu L. Z., Allen J. W., Gunnarsson O., Christensen N. E., Andersen O. K.
ALPHA-GAMMA TRANSITION IN CE - A DETAILED ANALYSIS OF ELECTRON- SPECTROSCOPY.
Physical Review B 45 8934-8941, 1992.
Mazin I.I., Dolgov O.V.
Estimation of the electron-phonon coupling in YBa2Cu3O7 from the resistivity.
Physical Review B 45 2509-11, 1992.
Mazin I.I., Andersen O.K., Liechtenstein A.I., Jepsen O., Antropov V.P., Rashkeev S.N., Anisimov V.I., Zaanen J., Rodriguez C.O., Methfessel M.
Density functional theory for phonons, electrons, and their interaction in YBa2Cu3O7.
Proceedings of the Conference. Lattice Effects in High-Tc Superconductors Editor(s): Bar-Yam, Y.; Egami, T.; Mustre-de-Leon, J.; Bishop, A.R. Singapore: World Scientific, 1992. p.235-51 of xv+602 pp. 25 refs. Conference: Santa Fe, NM, USA, 13-15 Jan 1992 Sponsor(s): DOE; Los Alamos Nat. Lab ISBN: 981-02-0970-3 , 1992.
Mazin I. I., Jepsen O., Andersen O. K., Liechtenstein A. I.
INTERPRETATION OF DEHAAS-VAN ALPHEN MEASUREMENTS ON YBA2CU3O7.
Physical Review Letters 68 3936, 1992.
Mazin I.I., Jepsen O., Andersen O.K., Liechtenstein A.I., Rashkeev S.N., Uspenskii Y.A.
Fermi-surface and low-energy excitation spectrum of YBa2Cu3O7: role of the Ba-O plane.
Physical Review B 45 5103-6, 1992.
Mazin I.I., Rashkeev S.N., Antropov V.P., Jepsen O., Liechtenstein A.I., Andersen O. K.
Quantitative theory of superconductivity in doped C60.
Physical Review B 45 5114-17, 1992.
Mazin I.I., Rashkeev S.N., Liechtenstein A.I., Andersen O.K.
Low-energy interband transitions in YBa2Cu3O7.
Physical Review B 46 11232-5, 1992.
Mazin I.I., Andersen O. K., Rashkeev S. N., Jepsen O., Rodriguez C. O., Liechtenstein A. I.
Band Theory and Raman Spectroscopy in High Temperature superconductors (HTSC)
Proceedings of the 13th International Conference on Raman Spectroscopy, Würzburg 1992. Eds. W. Kiefer, M. Cardona, G. Schaack, F. W. Schneider, H. W. Schrötter. Chichester: Wiley (1992), 890-891 , 1992.
Oh S. J., Kang J. S., Allen J. W., Suga S., Kakizaki A., Taniguchi M., Ishii T., Gunnarsson O., Christensen N. E., Fujimori A., Suzuki T., Kasuya T., Miyahara T., Kato H., Schonhammer K., Torikachvili M. S., Maple M. B.
OBSERVATION OF KONDO RESONANCE IN YBAL3 - REPLY.
Physical Review B 46 1866-1869, 1992.
Perlin P., Gorczyca I., Christensen N. E., Grzegory I., Teisseyre H., Suski T.
PRESSURE STUDIES OF GALLIUM NITRIDE - CRYSTAL-GROWTH AND FUNDAMENTAL ELECTRONIC-PROPERTIES.
Physical Review B 45 13307-13313, 1992.
Postnikov A.V., Antropov V.P., Jepsen O.
Electronic and magnetic structure of GdCu and GdZn.
Journal of Physics: Condensed Matter 4 2475-86, 1992.
Rodriguez C.O., Methfessel M.
Pressure-induced phase transformations in alkali-metal hydrides calculated using an improved linear-muffin-tin-orbital-atomic-sphere-approximation energy scheme.
Physical Review B 45 90-6, 1992.
Santoni A., Paolucci G., Santoro G., Prince K. C., Christensen N. E.
BAND-STRUCTURE OF LEAD SULFIDE.
Journal of Physics: Condensed Matter 4 6759-6768, 1992.
Satpathy S., Antropov V.P., Andersen O.K., Jepsen O., Gunnarsson O., Liechtenstein A.I.
Conduction-band structure of alkali-metal-doped C60.
Physical Review B 46 1773-93, 1992.
Savin A., Jepsen O., Flad J., Andersen O. K., Preuss H., Vonschnering H. G.
ELECTRON LOCALIZATION IN SOLID-STATE STRUCTURES OF THE ELEMENTS - THE DIAMOND STRUCTURE.
Angewandte Chemie, International Edition in English 31 187-188, 1992.
Savrasov S.Yu.
Linear-response calculations of lattice dynamics using muffin-tin basis sets.
Physical Review Letters 69 2819-22, 1992.
Savrasov S.Yu., Savrasov D.Yu.
Full-potential linear-muffin-tin-orbital method for calculating total energies and forces.
Physical Review B 46 12181-95, 1992.
Schmid U., Christensen N.E., Cardona M., Lukes F., Ploog K. 
Optical anisotropy in GaAs/AlAs (110) superlattices.
Physical Review B 45 3546-51, 1992.
Schonberger U., Andersen O.K., Methfessel M.
Bonding at metal-ceramic interfaces; ab initio density-functional calculations for Ti and Ag on MgO.
Acta Metallurgica et Materialia 40 S1-10, 1992.
Shulga S. V., Dolgov O. V., Mazin I. I.
ELECTRON PHONON COUPLING AND SPECIFIC-HEAT IN YBA2CU3O7.
Physica C 192 41-46, 1992.
Szpunar B.
Electronic-Structure Calculations for C60-f.c.c. (Rb)
Europhysics Letters 18 445-449, 1992.
Zaanen J.
Theory of correlated holes (and electrons): from satellites to Luttinger liquids.
in: Unoccupied electronic States, Eds. J. C. Fuggle and J. E. Inglesfield. Berlin: Springer 1992 , 1992.


 
 

Publications in the year 1991

Andersen O.K., Liechtenstein A.I., Rodriguez O., Mazin I.I., Jepsen O., Antropov V.P., Gunnarsson O., Gopalan S.
Electrons, phonons, and their interaction in YBa2Cu3O7.
Physica C 185-189 147-55, 1991.
Anisimov V.I., Gunnarsson O.
Density-functional calculation of effective Coulomb interactions in metals.
Physical Review B 43 7570-4, 1991.
Anisimov V.I., Zaanen J., Andersen O.K.
Band theory and Mott insulators: Hubbard U instead of Stoner I.
Physical Review B 44 943-54, 1991.
Antonov V.N., Antonov Vl.N., Jepsen O., Andersen O.K., Borghesi A., Bosio C., Marabelli F., Piaggi A., Guizzetti G., Nava F.
Optical properties of WSi2.
Physical Review B 44 8437-45, 1991.
Antonov V.N., Zhalko-Titarenko A.V., Milman V.Yu., Khotkevich A.V., Krainyukov S.N.
Point-contact spectroscopy of the electron-phonon interaction in palladium.
Journal of Physics: Condensed Matter 3 6523-30, 1991.
Bose S.K., Kudrnovsky J., Jepsen O., Andersen O.K.
Calculation of electronic structure of ordered and disordered binary (AB) alloys using the LMTO parameters for pure A and B components.
High-Temperature Ordered Intermetallic Alloys IV. Symposium Editor(s): Johnson, L.A.; Pope, D.P.; Stiegler, J.O. Pittsburgh, PA, USA: Mater. Res. Soc, 1991. p.25-30 of xix+1082 pp. 6 refs. Conference: Boston, MA, USA, 27-30 Nov 1990 Sponsor(s): Air Force Office Sci. Res.; General Electric Aircraft Engines; Martin Marietta Energy Syst , 1990.
Bose S. K., Kudrnovsky J., Jepsen O., Andersen O. K.
Electronic structure of ordered and disordered copper-palladium (Cu50Pd50 and Cu75Pd25) alloys.
in High-Temperature Ordered Intermetallic Alloys IV, eds. L.A. Johnson, D. P, Pope, J. O. Stiegler. Pittsburgh: MRS (1991), 95-100 (= Symposium Proceedings, Vol. 213) , 1991.
Bose S.K., Kudrnovsky J., Razavi F.S., Anderson O.K.
Pressure dependence of electronic densities of states and superconducting transition temperatures in NiZr glasses.
Physical Review B 43 110-18, 1991.
Braicovich L., Carbone C., Gunnarsson O., Olcese G. L.
RESONANT PHOTOEMISSION FROM CE24CO11 AT THE 4D-4F THRESHOLD.
Physical Review B 44 13756-13759, 1991.
Braun P., Fahnle M., van Schilfgaarde M., Jepsen O.
Magnetic contribution to the vacancy-formation energy: an alternative method for the ab initio calculation of effective exchange parameters in ferromagnetic metals.
Physical Review B 44 845-7, 1991.
Christensen N.E., Gorczyca I.
Electron structure of ZnS/ZnSe superlattices.
Physical Review B 44 1707-16, 1991.
Drchal V., Gunnarsson O., Jepsen O.
Effective coulomb interaction in metallic 3d systems: comparison of theory and experiment for Mn in Ag.
Physical Review B 44 3518-25, 1991.
Gopalan S., Kircher J., Andersen O.K., Jepsen O., Alouani M., Cardona M.
Investigation of the dielectric tensor in YBa2Cu3O7.
Physica C 185-189 1473-4, 1991.
Gorczyca I., Christensen N. E.
BAND-STRUCTURE AND HIGH-PRESSURE PHASE-TRANSITION IN GAN.
Solid State Communications 80 335-338, 1991.
Gunnarsson O., Satpathy S., Jepsen O., Andersen O.K.
Orientation of C60 clusters in solids.
Physical Review Letters 67 3002-5, 1991.
Kircher J., Kelly M.K., Rashkeev S., Alouani M., Fuchs D., Cardona M.
Anisotropy and oxygen-stoichiometry dependence of the dielectric tensor of YBa2Cu3O7- delta (0 < or = delta < or = 1).
Physical Review B 44 217-24, 1991.
Kudrnovsky J., Bose S.K., Andersen O.K.
Comparative study of the electronic structure of ordered, partially ordered, and disordered phases of the Cu3Au alloy.
Physical Review B 43 4613-21, 1991.
Kudrnovsky J., Bose S. K., Jepsen O.
Dependence of the electronic structure on local atomic order in ternary copper nickel-zinc (Cu2NiZn) alloys.
Physical Review B 43 14409-13, 1991.
Kudrnovsky J., Christensen N.E.
Electronic states in mixed pseudobinary (Pb,Sr)S crystals.
Physical Review B 43 9758-62, 1991.
Kudrnovsky J., Christensen N.E.
Electronic structure and properties of transition-metal disilicides CoSi2, NiSi2 and their alloys CoxNi1-xSi2.
Solid State Communications 78 153-7, 1991.
Kudrnovsky J., Christensen N.E., Andersen O.K.
Electronic structures and magnetic moments of Fe3+ySi1-y and Fe3-xVxSi alloys with DO3-derived structure.
Physical Review B 43 5924-33, 1991.
Kudrnovsky J., Christensen N.E., Masek J.
Electronic structure of fluorite-type compounds and mixed crystals.
Physical Review B 43 12597-606, 1991.
Kudrnovsky J., Drchal V., Sob M., Jepsen O.
Electronic structure in random hexagonal close-packed transition-metal alloys by the tight-binding linear-muffin-tin-orbital coherent-potential method.
Physical Review B 43 4622-8, 1991.
Kunc K., Zeyher R., Liechtenstein A.I., Methfessel M., Andersen O.K.
Ab-initio calculation of the charge and lattice modulation in BaBiO3.
Solid State Communications 80 325-9, 1991.
Liechtenstein A.I., Mazin I.I., Rodriguez C.O., Jepsen O., Andersen O.K., Methfessel M.
Structural phase diagram and electron-phonon interaction in Ba1-xKxBiO3.
Physical Review B 44 5388-91, 1991.
Liechtenstein A.I., Mazin I.I., Rodriguez C.O., Jepsen O., Andersen O.K., Methfessel M.
Structural phase diagram and electron-phonon interaction in Ba1-xKxBiO3.
in: Electronic Structure of Solids '91, ed. P. Ziesche, H. Eschrig. Berlin: Akademie Verlag (1991) (Symposium Proceedings) , 1991.
Motta N., Christensen N. E.
PHASE-DIAGRAM OF THE FE1-XCOXSI2 ALLOY IN THE FLUORITE FORM.
PHYSICAL REVIEW B-CONDENSED MATTER 43 4902-4907, 1991.
Mryasov O. N., Liechtenstein A. I., Sandratskii L. M., Gubanov V. A.
MAGNETIC-STRUCTURE OF FCC IRON.
JOURNAL OF PHYSICS-CONDENSED MATTER 3 7683-7690, 1991.
Nowak H.J., Andersen O.K., Fujiwara T., Jepsen O., Vargas P.
Electronic-structure calculations for amorphous solids using the recursion method and linear muffin-tin orbitals: application to Fe80B20.
Physical Review B 44 3577-98, 1991.
Oles A.M., Zaanen J.
Strong Electron Correlations in CuO2 Planes of High Temperature superconductors
in: Recent Progress in Many Body Theories, Vol. 2, ed. Y. Avishai. New York: Plenum (1990) 55-64 , 1991.
Oles A.M., Zaanen J., Drchal V.
t-J Model for Triplet Holes
in: International Journal of Modern Physics B 5, 131-142 (1991) (= Adriatico Research Conference Proceedings) , 1991.
Peduto P. R., Frotapessoa S., Methfessel M. S.
1ST-PRINCIPLES LINEAR MUFFIN-TIN ORBITAL ATOMIC-SPHERE APPROXIMATION CALCULATIONS IN REAL SPACE.
Physical Review B 44 13283-13290, 1991.
Rietveld G., Glastra M., Verbrugh S. M., Jepsen O., Anderson O. K., Vandermarel D.
X-RAY PHOTO-ELECTRON AND AUGER-ELECTRON SPECTROSCOPY OF OXYGEN IN LA2CUO4.
Physica C 185-189 829-830, 1991.
Savin A.
Correlation Contributions from Density Functionals
in: Density Functional Methods in Chemistry, eds. J. K. Labanowski and J. W. Andzelm, New York: Springer (1991), 213-230 , 1991.
Savin A., Becke A. D., Flad J., Nesper R., Preuss H., Vonschnering H. G.
A NEW LOOK AT ELECTRON LOCALIZATION.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH 30 409-412, 1991.
Schmid U., Christensen N.E., Alouani M., Cardona M.
Electronic and optical properties of strained Ge/Si superlattices.
Physical Review B 43 14597-614, 1991.
Schmid U., Lukes F., Christensen N.E., Alouan M., Cardona M., Kasper E., Kibbel H., Presting H.
Dielectric response of strained Ge-Si superlattices: theory and experiment.
Materials Science & Engineering B 43 233-6, 1991.
Schober C., Christensen N. E., Ziesche P.
ABINITIO CALCULATIONS OF THE INTERNAL-CONVERSION COEFFICIENT FOR VALENCE-ELECTRONS OF HCP-99TC AND BCC-U-235.
Solid State Communications 77 173-176, 1991.
Schonhammer K., Stubig I., Gunnarsson O.
RESONANT EXCITATION OF ELECTRON-HOLE PAIRS IN SEMICONDUCTORS - A SIMPLIFIED MODEL.
PHYSICAL REVIEW B-CONDENSED MATTER 44 7965-7974, 1991.
Shen Z. X., List R. S., Dessau D. S., Arko A. J., Barttlet R., Jepsen O., Wells B. O., Parmigiani F.
ANGLE RESOLVED PHOTOEMISSION OF NIO(001).
Solid State Communications 79 623-628, 1991.
Shen Z. X., List R. S., Dessau D. S., Wells B. O., Jepsen O., Arko A. J., Barttlet R., Shih C. K., Parmigiani F., Huang J. C., Lindberg P. A. P.
ELECTRONIC-STRUCTURE OF NIO - CORRELATION AND BAND EFFECTS.
PHYSICAL REVIEW B-CONDENSED MATTER 44 3604-3626, 1991.
Solovyev I. V., Liechtenstein A. I., Gubanov V. A., Antropov V. P., Andersen O. K.
SPIN-POLARIZED RELATIVISTIC LINEAR-MUFFIN-TIN-ORBITAL METHOD - VOLUME-DEPENDENT ELECTRONIC-STRUCTURE AND MAGNETIC-MOMENT OF PLUTONIUM.
PHYSICAL REVIEW B-CONDENSED MATTER 43 14414-14422, 1991.
Werner J. H., Christensen N. E.
Classification of grain boundary activity in semiconductors.
in: Polycrystalline Semiconductors II, eds. J. H. Werner and H. P. Strunk. Heidelberg: Springer (1991), 145-150 (= Springer Proceedings in Physics Vol. 54) , 1991.
Zaanen J., Oles A. M., Feiner L. F.
Orbital Dynamics and Spin Fluctuations in Cuprates
in: Dynamics of Magnetic Fluctuations in High-Temperature Super-conductors, eds. G. Reiter, P. Horsch, G. C. Psaltakis. New York: Plenum (1991), 241-252 (= NATO-ASI Series, Series B: Physics Vol. 246) , 1991.


 
 

Publications in the year 1990

Allen J. W., Kang J. S., Liu L. Z., Gunnarsson O., Christensen N. E., Andersen O. K., Maple M. B., Torikachvili M. S., Koelling D. D., Ellis W. P., Pate B. B., Shen Z. X., Yeh J. J., Lindau I.
ELECTRON-SPECTROSCOPY OF HEAVY-FERMION MATERIALS.
Physica Scripta T31 232-238, 1990.
Antonov V.N., Milman V.Yu., Nemoshkalenko V.V., Zhalko-Titarenko A.V.
Equation of state and thermodynamics of FCC transition metals: a pseudopotential approach.
Zeitschrift fur Physik B - Condensed Matter 79 233-9, 1990.
Antonov V.N., Milman V.Yu., Nemoshkalenko V.V., Zhalko-Titarenko A.V.
Lattice dynamics of FCC transition metals: a pseudopotential approach.
Zeitschrift fur Physik B - Condensed Matter 79 223-32, 1990.
Beeler F., Andersen O.K., Scheffler M.
Electronic and magnetic structure of 3d-transition-metal point defects in silicon calculated from first principles.
Physical Review B 41 1603-24, 1990.
Blanca E. L. P. Y., Cappannini O. M., Casali R. A., Rodriguez C. O.
DIRECT ENERGY GAPS IN SEMICONDUCTORS - AN ABINITIO CALCULATION OF THEIR DEPENDENCES ON HYDROSTATIC-PRESSURE.
Journal of Physics and Chemistry of Solids 51 1111-1115, 1990.
Bloechl P., Das G. P., Fischmeister H. F., Schoenberger U.
Electronic structure of a metal-ceramic interface: ab initio calculations for magnesia/silver.
in: Metal-Ceramic Interfaces, Proceedings of an International Workshop (Santa Barbara, CA 1989), eds. M. Rühle, A. G. Evans, M. F. Ashby, J. P. Hirth. Oxford: Pergamon Press (1990), 9-14 , 1990.
Bose S.K., Kudrnovsky J., van Schilfgaarde M., Blochl P., Jepsen O., Methfessel M., Paxton A.T., Andersen O.K.
Electronic structure of ordered and disordered Pd3Fe.
Journal of Magnetism and Magnetic Materials 87 97-105, 1990.
Bose S.K., Kudrnovsky J., Mazin I.I., Andersen O.K.
Effect of disorder on the electronic structure of palladium.
Physical Review B 41 7988-98, 1990.
Cardona M., Christensen N.E.
Comment on 'Ab initio pseudopotential calculations of optical-phonon deformation potentials in zinc-blende semiconductors'.
Physical Review B 41 5407-8, 1990.
Christensen N. E.
ELECTRONIC-STRUCTURE OF BETA-FESI2.
PHYSICAL REVIEW B-CONDENSED MATTER 42 7148-7153, 1990.
Christensen N.E., Gorczyca I., Christensen O.B., Schmid U., Cardona M.
Band structure and heterojunctions of II-VI materials.
Journal of Crystal Growth 101 318-31, 1990.
Das G. P., Bloechl P., Andersen O. K., Christensen N. E., Gunnarsson O.
Reply to "Comment. Exchange-correlation potentials in Schottky barriers and heterojunctions".
Physical Review Letters 65 2084, 1990.
Feiner L. F., Zaanen J.
Orbital Dynamics and Jahn-Teller Coupling in the CuO2 Planes of the High-Tc Cuprates
in: Electronic Properties of High-Tc Superconductors and related compounds, eds. H. Kuzmany, M. Mehring, J, Fink. Berlin: Springer (1990), 375-360 (1990 Kirchberg Proceedings) , 1990.
Gorczyca I., Christensen N.E.
Valence band offsets and interface states in ZnS/ZnSe strained superlattices.
20th International Conference on the Physics of Semiconductors Editor(s): Anastassakis, E.M.; Joannopoulos, J.D. Singapore: World Scientific, 1990. p.1005-8 vol.2 of 3 vol. , 1990.
Gu Y. M., Fritsche L., Christensen N. E.
CHEMICAL TRENDS IN THE FORMATION AND BINDING-ENERGY OF NATIVE DEFECTS IN III-V SEMICONDUCTORS.
PHYSICA STATUS SOLIDI B-BASIC RESEARCH 159 617-627, 1990.
Gunnarsson O.
Calculation of parameters in model Hamiltonians.
Physical Review B 41 514-18, 1990.
Gunnarsson O.
Probes of hybridization and Coulomb correlation in valence states using ab initio calculations and high energy spectroscopies.
Conf. Proceedings Vol. 25, "2nd European Conf. on Progress in X-Ray Synchrotron Radiation Research", Eds. A. Balerna, E. Bernieri, S. Mobilio, Bologna: SIF (1990), 77-91 , 1990.
Gunnarsson O., Allen J.W., Jepsen O., Fujiwara T., Andersen O.K., Olsen C.G., Maple M.B., Kang J.-S., Liu L.Z., Park J.-H., Anderson R.O., Ellis W.P., Liu R., Markert J.T., Dalichaouch Y., Shen Z.-X., Lindberg P.A.P., Wells B.O., Dessau D.S., Borg A., Lindau I., Spicer W.E.
Polarized resonance photoemission for Nd2CuO4.
Physical Review B 41 4811-22, 1990.
Gunnarsson O., Christensen N.E.
Crystal-field and configuration dependence of hopping-matrix elements for CeCu2Si2.
Physical Review B 42 2363-7, 1990.
Gunnarsson O., Jepsen O., Shen Z.-X.
Local singlet for CuO and Nd2CuO4.
Physical Review B 42 8707-9, 1990.
Heine V., Liechtenstein A.I., Mryasov O.N.
On the origin of short-range order above Tc in Fe, Co, Ni.
Europhysics Letters 12 545-50, 1990.
Herman F., Jepsen O.
ELECTRONIC AND MAGNETIC-STRUCTURE OF THE TERNARY FCC MN-FE-NI SYSTEM .2. DISORDERED ALLOYS AND FERROMAGNETIC-ANTIFERROMAGNETIC INTERFACES.
PHYSICAL REVIEW B-CONDENSED MATTER 41 6811-6819, 1990.
Heyen E.T., Rashkeev S.N., Mazin I.I., Andersen O.K., Liu R., Cardona M., Jepsen O.
Resonant Raman scattering in YBa2Cu3O7: band theory and experiment.
Physical Review Letters 65 3048-51, 1990.
Jepsen O., Herman F.
Electronic and magnetic structure of the ternary FCC Mn-Fe-Ni system. I. Ordered compounds.
Physical Review B 41 6801-10, 1990.
Kang J. S., Allen J. W., Gunnarsson O., Christensen N. E., Andersen O. K., Lassailly Y., Maple M. B., Torikachvili M. S.
ORIGIN OF HEAVY-FERMION BEHAVIOR IN CECU2SI2.
PHYSICAL REVIEW B-CONDENSED MATTER 41 6610-6615, 1990.
Kudrnovsky J., Bose S.K., Andersen O.K.
Electronic structure of sputter-deposited alloy films: application to the Fe-Cu-Ag system.
Journal of Physics: Condensed Matter 2 6847-51, 1990.
Kudrnovsky J., Bose S.K., Andersen O.K.
Electronic structure of sputter-deposited Fe-Cu and Fe-Ag alloy films.
Journal of the Physical Society of Japan 59 4511-19, 1990.
Kulatov E., Mazin I. I.
EXTENDED STONER FACTOR CALCULATIONS FOR THE HALF-METALLIC FERROMAGNETS NIMNSB AND CRO2.
JOURNAL OF PHYSICS-CONDENSED MATTER 2 343-350, 1990.
Lambrecht W. R. L., Segall B., Andersen O. K.
SELF-CONSISTENT DIPOLE THEORY OF HETEROJUNCTION BAND OFFSETS.
PHYSICAL REVIEW B-CONDENSED MATTER 41 2813-2831, 1990.
Logothetidis S., Alouani M., Garriga M., Cardona M.
E2 interband transitions in AlxGa1-xAs alloys.
Physical Review B 41 2959-65, 1990.
Mazin I. I., Rashkeev S. N.
MICROSCOPIC ANALYSIS OF THE TRANSMITTANCE OF YBA2CU3O7 THIN-FILMS.
Physics Letters A 150 43-46, 1990.
Mazin I.I., Rashkeev S.N., Savrasov S.Y.
Nonspherical rigid-muffin-tin calculations of electron-phonon coupling in high-Tc perovskites.
Physical Review B 42 366-79, 1990.
Methfessel M., Frota-Pessôa S.
REAL-SPACE METHOD FOR CALCULATION OF THE ELECTRIC-FIELD GRADIENT - COMPARISON WITH K-SPACE RESULTS.
JOURNAL OF PHYSICS-CONDENSED MATTER 2 149-158, 1990.
Milman V. Y., Antonov V. N., Nemoshkalenko V. V.
RELATIVISTIC PSEUDOPOTENTIALS FOR TRANSITION-METALS .1. CONSTRUCTION AND APPLICATION TO ATOMS.
JOURNAL OF PHYSICS-CONDENSED MATTER 2 7101-7114, 1990.
Paxton A.T., Methfessel M., Polatoglou H.M.
Structural energy-volume relations in first-row transition metals.
Physical Review B 41 8127-38, 1990.
Petrilli H. M., Frotapessoa S., Methfessel M.
SELF-CONSISTENT C/A DEPENDENCE OF THE EFG IN HCP ZR.
Hyperfine Interactions 60 647-650, 1990.
Polatoglou H.M., Methfessel M.
Comparison of the Harris and the Hohenberg-Kohn-Sham functionals for calculation of structural and vibrational properties of solids.
Physical Review B 41 5898-903, 1990.
Rodriguez C.O., Liechtenstein A.I., Mazin I.I., Jepsen O., Andersen O.K., Methfessel M.
Optical near-zone-center phonons and their interaction with electrons in YBa2Cu3O7: results of the local-density approximation.
Physical Review B 42 2692-5, 1990.
Schmid U., Christensen N.E., Cardona M.
Relativistic band structure of Si, Ge, and GeSi: inversion-asymmetry effects.
Physical Review B 41 5919-30, 1990.
Schmid U., Christensen N. E., Cardona M.
Comment. Direct transition energies in strained ten-monolayer germanium/silicon superlattices.
Physical Review Letters 65 2610, 1990.
Schmid U., Christensen N. E., Cardona M.
DIRECT TRANSITION ENERGIES IN STRAINED 10-MONOLAYER GE/SI SUPERLATTICES.
Physical Review Letters 65 2610, 1990.
Schmid U., Christensen N.E., Cardona M.
Calculated deformation potentials in Si, Ge, and GeSi.
Solid State Communications 75 39-43, 1990.
Schmid U., Christensen N. E., Cardona M., Alouani M.
Electronic and optical properties of germanium-silicon (GenSim) superlattices.
in: The Physics of semiconductors, vol. 2. Eds.: E. M. Anastassakis and J. D. Joannopoulos. Singapore: World Scientific (1990), 865-868 (Thessaloniko Conference Proceed.) , 1990.
Schmid U., Lukes F., Christensen N.E., Alouani M., Cardona M., Kasper E., Kibbel H., Presting H.
Interband transitions in strain-symmetrized Ge4Si6 superlattices.
Physical Review Letters 65 1933-6, 1990.
Schober C., Antonov V. N., Ziesche P.
INTERNAL-CONVERSION COEFFICIENT FOR VALENCE-ELECTRONS OF METALS - THEORY AND APPLICATION TO AG-110.
PHYSICA STATUS SOLIDI B-BASIC RESEARCH 159 771-779, 1990.
Shen Z. X., Shih C. K., Jepsen O., Spicer W. E., Lindau I., Allen J. W.
ASPECTS OF THE CORRELATION-EFFECTS, ANTIFERROMAGNETIC ORDER, AND TRANSLATIONAL SYMMETRY OF THE ELECTRONIC-STRUCTURE OF NIO AND COO.
Physical Review Letters 64 2442-2445, 1990.
Svane A., Gunnarsson O.
TRANSITION-METAL OXIDES IN THE SELF-INTERACTION CORRECTED DENSITY-FUNCTIONAL FORMALISM.
Physical Review Letters 65 1148-1151, 1990.
Svane A., Gunnarsson O.
HYDROGEN SOLID IN SELF-INTERACTION-CORRECTED LOCAL-SPIN-DENSITY APPROXIMATION.
Solid State Communications 76 851-854, 1990.
Thomsen C., Cardona M., Friedl B., Rodriguez C.O., Mazin I.I., Andersen O.K.
Phonon self-energies and the gap of high-temperature superconductors.
Solid State Communications 75 219-23, 1990.
Ves S., Schwarz U., Christensen N.E., Syassen K., Cardona M.
Cubic ZnS under pressure: optical-absorption edge, phase transition, and calculated equation of state.
Physical Review B 42 9113-18, 1990.
Wu S. C., Li H., Tian D., Quinn J., Li Y. S., Jona F., Sokolov J., Christensen N. E.
ELECTRON BAND-STRUCTURE OF A RARE-EARTH-METAL - TB(0001).
PHYSICAL REVIEW B-CONDENSED MATTER 41 11911-11918, 1990.
Zaanen J., Sawatzky G. A.
Systematics in Band Gaps and Optical Spectra of 3D Transition Metal Compounds
Journal of Solid State Chemistry 88 8-27, 1990.
Zollner S., Schmid U., Christensen N.E., Cardona M.
Conduction-band minima of InP: ordering and absolute energies.
Applied Physics Letters 57 2339-41, 1990.
Zollner S., Schmid U., Christensen N.E., Grein C.H., Cardona M., Ley L.
LMTO and EPM calculations of strained valence bands in GaAs and InAs.
in: The Physics of Semiconductors vol. 2. Editor(s): Anastassakis, E.M.; Joannopoulos, J.D. Singapore: World Scientific, 1990. p.1735-8 (Thessaloniki Conference Proceed.) , 1990.
Zwicknagl G., Runge E., Christensen N.E.
Low-energy excitations in heavy fermion systems.
Physica B 163 97-9, 1990.


 
 

Publications in the year 1989

Alouani M., Christensen N. E., Syassen K.
Calculated ground-state and optical properties of potassium under pressure.
Physical Review B 39 8096-106, 1989.
Andersen O.K., Methfessel M., Rodriguez C. O., Blöchl P., Polatoglou H. M.
Total Energy and Force Calculations with the LMTO Method
in: Atomistic Simulation of Materials, eds. V. Vitek and D. J. Srolovitz. New York: Plenum (1989) 1-13 , 1989.
Anderson F.G.
Pseudo-Jahn-Teller effect for distortions involving oxygen and nitrogen impurities in silicon.
Physical Review B 39 5392-6, 1989.
Bagno P., Jepsen O., Gunnarsson O.
Ground-state properties of third-row elements with nonlocal density functionals.
Physical Review B 40 1997-2000, 1989.
Capek V.
MODIFIED TOKUYAMA-MORI THEORY - APPLICATION TO QUANTUM DIFFUSION PROBLEM.
CZECHOSLOVAK JOURNAL OF PHYSICS B 39 1325-1335, 1989.
Capek V.
EXCITED-STATE-INDUCED SUBBARRIER TUNNELLING IN THE DOUBLE-WELL MODEL.
Journal de Physique 50 887-898, 1989.
Capek V.
SYMMETRY-BREAKING IN THE DOUBLE-WELL MODEL - OHMIC DISSIPATION WITH UNRELAXED (FEYNMAN-VERNON) INITIAL CONDITIONS.
Journal de Physique 50 775-781, 1989.
Castellani N. J., Lambrecht W. R. L.
CORE HOLE RELAXATION ENERGY IN SEMICONDUCTORS - USING A PSEUDOPOTENTIAL DESCRIPTION OF THE CORE HOLE PERTURBATION.
PHYSICA STATUS SOLIDI B-BASIC RESEARCH 151 565-570, 1989.
Christensen N.E., Wei S.-H., Zunger A.
First-principles calculation of the formation energies of ordered and disordered phases of AlAs-GaAs.
Physical Review B 40 1642-6, 1989.
Das G.P., Blochl P., Andersen O.K., Christensen N.E., Gunnarsson O.
Electronic structure and Schottky-barrier heights of (111) NiSi2/Si A- and B-type interfaces.
Physical Review Letters 63 1168-71, 1989.
Das G. P., Bloechl P., Christensen N. E., Andersen O. K.
Calculated electronic structures and Schottky barrier heights of (111) nickel disilicide/silicon A- and B-type interfaces.
in: Metallization and Metal-Semiconductor Interfaces, ed. I. P. Batra. New York: Plenum 1989, 215-234 , 1989.
Dolgov O. V., Maksimov E. G., Mazin I. I., Savrasov D. Y.
MICROSCOPIC CALCULATIONS OF THE NMR RELAXATION RATE FOR HIGH-TEMPERATURE SUPERCONDUCTORS.
Physica C 162-164 1529-1530, 1989.
Feiner L. F., Zaanen J.
CHARGED VORTICES IN THE NEGATIVE-U HUBBARD-MODEL.
Physica C 162 777-778, 1989.
Gopalan S., Christensen N.E., Cardona M.
Band-edge states in short-period (GaAs)m/(AlAs)n superlattices.
Physical Review B 39 5165-74, 1989.
Gorczyca I., Christensen N. E.
CALCULATED ELECTRONIC-STRUCTURE OF ZNS ZNSE SUPERLATTICES.
Solid State Communications 72 785-789, 1989.
Gorczyca I., Christensen N.E., Alouani M.
Calculated optical and structural properties of InP under pressure.
Physical Review B 39 7705-12, 1989.
Gunnarsson O., Andersen O.K., Jepsen O., Zaanen J.
Density-functional calculation of the parameters in the Anderson model: application to Mn in CdTe.
Physical Review B 39 1708-22, 1989.
Gunnarsson O., Gies P., Hanke W., Andersen O.K.
Ab initio method for calculating response functions in transition metals.
Physical Review B 40 12140-6, 1989.
Gunnarsson O., Postnikov A.V., Andersen O.K.
Density-functional calculation of effective Coulomb interactions in nonmetallic systems: application to Mn in CdTe, CdS, and ZnO.
Physical Review B 40 10407-11, 1989.
Gunnarsson O., Schonhammer K.
Renormalization of hopping integrals due to Coulomb interactions for the Anderson model.
Physical Review B 40 4160-3, 1989.
Gunnarsson O., Anderson O.K., Svane A.
Density functional calculations for strongly correlated systems.
Interacting Electrons in Reduced Dimensions. Proceedings of a NATO Advanced Research Workshop (SDL Panel) Editor(s): Baeriswyl, D.; Campbell, D.K. New York, NY, USA: Plenum, 1989. p.139-50 of xi+403 pp. 51 refs. Conference: Turin, Italy, 3-7 Oct 1988 ISBN: 0-306-43415-6 , 1988.
Hanfland M., Syassen K., Alouani M., Christensen N.E.
Optical properties of high-pressure metallic phases of Si and Ge.
Semiconductor Science and Technology 4 250-1, 1989.
Hillebrecht F.U., Fraxedas J., Ley L., Trodahl H.J., Zaanen J., Braun W., Mast M., Petersen H., Schaible M., Bourne L.C., Pinsukanjana P., Zettl A.
Experimental electronic structure of Bi2CaSr2Cu2O8+ delta .
Physical Review B 39 236-42, 1989.
Hillebrecht F. U., Fraxedas J., Ley L., Trodahl J., Zaanen J.
Photoemission spectroscopy of bismuth calcium strontium copper oxide (Bi2CaSr2Cu2O8+.delta.) in the normal and superconducting state.
High Tc Supercond., Proc. Int. Symp. Electron. Struct. of High Tc Supercond. Editors: Bianconi, A. Marcelli, A. Oxford, UK: Pergamon, 1989. p. 181-4 of x+339 pp. 6 refs. Conference: Rome, Italy, 5-7 Oct 1988 Sponsor(s): Assoc. Amici Accad. Lincei; Europa Metalli-LMI; CNR; ENEA ISBN: 0-08-037542-1 , 1989.
Hinkel V., Haak H., Mariani C., Sorba L., Horn K., Christensen N. E.
INVESTIGATION OF THE BULK BAND-STRUCTURE OF IV-VI COMPOUND SEMICONDUCTORS - PBSE AND PBTE.
PHYSICAL REVIEW B-CONDENSED MATTER 40 5549-5556, 1989.
Hybertsen M. S., Schluter M., Christensen N. E.
CALCULATION OF COULOMB-INTERACTION PARAMETERS FOR LA2CUO4 USING A CONSTRAINED-DENSITY-FUNCTIONAL APPROACH.
PHYSICAL REVIEW B-CONDENSED MATTER 39 9028-9041, 1989.
Jones R. O., Gunnarsson O.
THE DENSITY FUNCTIONAL FORMALISM, ITS APPLICATIONS AND PROSPECTS.
Reviews of Modern Physics 61 689-746, 1989.
Kircher J., Alouani M., Garriga M., Murugaraj P., Maier J., Thomsen C., Cardona M., Andersen O.K., Jepsen O.
Anisotropy of the dielectric function in YBa2Cu3O6.
Physical Review B 40 7368-71, 1989.
Kudrnovsky J., Drchal V., Sob M., Christensen N. E., Andersen O. K.
ELECTRONIC-STRUCTURE OF RANDOM SEMICONDUCTOR ALLOYS BY THE TIGHT-BINDING LINEAR MUFFIN-TIN ORBITAL METHOD.
PHYSICAL REVIEW B-CONDENSED MATTER 40 10029-10032, 1989.
Mazin I.I., Rashkeev S.N.
Influence of local symmetry on the electron-phonon coupling in perovskites.
Physica C 162-164 1347-8, 1989.
Methfessel M., Paxton A.T.
High-precision sampling for Brillouin-zone integration in metals.
Physical Review B 40 3616-21, 1989.
Methfessel M., Rodriguez C.O., Andersen O.K.
Fast full-potential calculations with a converged basis of atom-centered linear muffin-tin orbitals: structural and dynamic properties of silicon.
Physical Review B 40 2009-12, 1989.
Oles A.M., Zaanen J.
Mean-field theories of the two-band model and the magnetism in high-Tc oxides.
Physical Review B 39 9175-91, 1989.
Paxton A. T.
Interatomic Forces and Bond Energies in the Tight-Binding Approximation
in: Atomistic Simulation of Materials, eds. V. Vitek and D. J. Srolovitz. New York: Plenum (1989) 327-345 , 1989.
Rajagopalan M., Alouani M., Christensen N.E.
Calculation of band structure and superconductivity in the simple cubic phase of phosphorus.
Journal of Low Temperature Physics 75 1-13, 1989.
Rodriguez C. O., Casali R. A., Peltzer E. L., Cappannini O. M., Methfessel M.
1ST-PRINCIPLES PSEUDOPOTENTIAL AND FULL-POTENTIAL LINEAR MUFFIN-TIN-ORBITAL CALCULATION OF ANHARMONIC EFFECTS ON THE LATTICE-DYNAMICAL PROPERTIES OF AIP.
PHYSICAL REVIEW B-CONDENSED MATTER 40 3975-3978, 1989.
Satpathy S., Pathak A.P.
Planar channeling of electrons and positrons in crystals: local-density calculation of planar averaged potential and channeling radiation spectrum.
Physica Status Solidi B 153 455-64, 1989.
Springborg M., Lev M.
ELECTRONIC-STRUCTURES OF POLYETHYLENE AND POLYTETRAFLUOROETHYLENE.
PHYSICAL REVIEW B-CONDENSED MATTER 40 3333-3339, 1989.
Svane A., Gunnarson O.
LOCALIZATION IN THE SELF-INTERACTION CORRECTED DENSITY FUNCTIONAL FORMALISM.
Journal de Chimie Physique et de Physico-Chimie 86 823-830, 1989.
Uspenskii Yu.A., Ziesche P., Grafenstein J.
On the calculation of forces and total energy changes via the quantum mechanical stress field.
Zeitschrift fur Physik B 76 193-8, 1989.
Zaanen J.
Band Formation and the trivalent limit of the high Tc Oxides
Proceedings of the International Symposium on High Temperature Superconductivity Editor(s): Garg, K.B.; Jain, D.C.; Chauhan, H.S.; Chandra, U.; Singh, J. New Delhi, India: Oxford & IBH Publishing, 1989. p.31-8 of 300 pp. 42 refs. Conference: Jaipur, India, 6-8 July 1988 Sponsor(s): Univ. Grants Comm.; Univ. Rajasthan; et al ISBN: 81-204-0383-5 , 1988.
Zaanen J., Alouani M., Jepsen O.
X-ray absorption of YBa2Cu3P7: a band picture.
Physical Review B 40 837-40, 1989.
Zaanen J., Gunnarsson O.
Charged magnetic domain lines and the magnetism of high-Tc oxides.
Physical Review B 40 7391-4, 1989.
Zaanen J., Gunnarsson O.
Local spin screening in the high Tc superconductors.
Physica C 162-164 821-2, 1989.


 
 

Publications in the year 1988

Alouani M., Brey L., Christensen N.E.
Calculated optical properties of semiconductors.
Physical Review B 37 1167-79, 1988.
Alouani M., Gopalan S., Garriga M., Christensen N.E.
Interband transitions in ultrathin GaAs-AlAs superlattices.
Physical Review Letters 61 1643-6, 1988.
Alouani M., Jepsen O., Andersen O.K.
Interband optical conductivity of La2CuO4.
Physica C 153-155 1233-4, 1988.
Alouani M., Koenig C., Khan M.A.
Interband transitions in ScPd3 and YPd3.
Solid State Communications 65 327-30, 1988.
Anisimov V. I., Antropov V. P., Liechtenstein A. I., Gubanov V. A., Postnikov A. V.
ELECTRONIC-STRUCTURE AND MAGNETIC-PROPERTIES OF 3D IMPURITIES IN FERROMAGNETIC METALS.
PHYSICAL REVIEW B-CONDENSED MATTER 37 5598-5602, 1988.
Antropov V. P., Anisimov V. I., Liechtenstein A. I., Postnikov A. V.
ELECTRONIC-STRUCTURE AND MAGNETIC-PROPERTIES OF 3D IMPURITIES IN ANTIFERROMAGNETIC METALS.
PHYSICAL REVIEW B-CONDENSED MATTER 37 5603-5605, 1988.
Beeler F., Scheffler M.
1ST-PRINCIPLES TOTAL ENERGY AND ELECTRONIC-STRUCTURE CALCULATIONS OF DEEP-LEVEL POINT-DEFECTS IN SILICON.
Helvetica Physica Acta 61 65, 1988.
Bose S.K., Jaswal S.S., Andersen O.K., Hafner J.
Linear-muffin-tin-orbital (LMTO) supercell and LMTO recursion calculations for the electronic structure of metallic glasses: Ca7Al3.
Physical Review B 37 9955-63, 1988.
Bose S.K., Winer K., Andersen O.K.
Electronic properties of a realistic model of amorphous silicon.
Physical Review B 37 6262-77, 1988.
Capek V.
GENERALIZED MASTER-EQUATIONS AND OTHER THEORIES OF THE PHONON-ASSISTED HOPPING CONDUCTION.
PHYSICAL REVIEW B-CONDENSED MATTER 38 12983-12987, 1988.
Capek V.
ASYMPTOTIC SYMMETRY-BREAKING IN A SYMMETRIC 2-SITE DOUBLE-WELL MODEL WITH DISSIPATION.
CZECHOSLOVAK JOURNAL OF PHYSICS 38 1061-1064, 1988.
Cardona M., Christensen N.E.
Band offsets in tetrahedral semiconductors.
Journal of Vacuum Science & Technology B 6 1285-9, 1988.
Cardona M., Christensen N.E.
Comment on 'Spectroscopy of excited states in In0.53Ga0.47As-InP single quantum wells grown by chemical-beam epitaxy.
Physical Review B 37 1011-12, 1988.
Cardona M., Christensen N.E., Fasol G.
Relativistic band structure and spin-orbit splitting of zinc-blende-type semiconductors.
Physical Review B 38 1806-27, 1988.
Christensen N.E.
Possibility of heterostructure band offsets as bulk properties: transitivity rule and orientation effects.
Physical Review B 38 12687-90, 1988.
Christensen N.E.
Dipole effects and band offsets at semiconductor interfaces.
Physical Review B 37 4528-38, 1988.
Christensen N.E.
Stability of GaAs/AlAs superlattices.
Solid State Communications 68 959-62, 1988.
Christensen N.E., Andersen O.K., Gunnarsson O., Jepsen O.
Density functional calculations of Fermi surfaces of normal and heavy-electron metals.
Journal of Magnetism and Magnetic Materials 76-77 23-9, 1988.
Christensen N.E., Brey L.
Band offsets in heterostructures with thin interlayers.
Physical Review B 38 8185-91, 1988.
Christensen N. E., Brey L.
Are heterostructure band offsets bulk properties?.
Int. Conf. Phys. Semicond., 19th. Volume 1, 529-32. Editors: Zawadzki, Wlodek. Publisher: Acad. Sci., Inst. Phys., Warsaw, Pol. , 1988.
Christensen N.E., Gunnarsson O., Jepsen O., Andersen O.K.
Local spin density theory for ferro-and antiferromagnetic materials.
Journal de Physique Colloque 49 17-22, 1988.
Das G.P., Blochl P., Christensen N.E., Andersen O.K.
Calculated electronic structures and Schottky barrier heights of (111) NiSi2/Si A- and B-type interfaces.
Metallization and Metal-Semiconductor Interfaces. Proceedings of a NATO Advanced Research Workshop Editor(s): Batra, I.P. New York, NY, USA: Plenum, 1989. p.215-34 of xi+510 pp. 31 refs. Conference: Garching, West Germany, 22-26 Aug 1988 ISBN: 0-306-43159-9 , 1988.
Fuggle J. C., Gunnarsson O., Sawatzky G. A., Schonhammer K.
VIRTUAL-BOUND-STATE EFFECTS IN CORE-LEVEL SPECTRA OF LIGHT RARE-EARTH ALLOYS.
PHYSICAL REVIEW B-CONDENSED MATTER 37 1103-1108, 1988.
Gopalan S., Cardona M., Christensen N.E.
Hybridization of valence states and effective masses of electrons and holes in short period (GaAs)m(AlAs)m superlattices.
Solid State Communications 66 471-4, 1988.
Gopalan S., Christensen N. E., Cardona M.
Character of electron and hole states in short-period gallium arsenide/aluminum arsenide.
Int. Conf. Phys. Semicond., 19th. Volume 1, 369-72. Editors: Zawadzki, Wlodek. Publisher: Pol. Acad. Sci., Inst. Phys., Wasaw, Pol. , 1988.
Gunnarsson O., Christensen N.E., Andersen O.K.
Density functional calculations for 4f-electron systems: hopping matrix elements for the Anderson model.
Journal of Magnetism and Magnetic Materials 76-77 30-4, 1988.
Gunnarsson O., Jepsen O.
Configuration dependence of hopping matrix elements in the Anderson model.
Physical Review B 38 3568-71, 1988.
Gunnarsson O., Sarma D.D., Hillebrecht F.U., Schonhammer K.
Electronic structure of the light actinide oxides from electron spectroscopy.
Journal of Applied Physics 63 3676-9, 1988.
Gunnarsson O., Schoenhammer K.
Reply to "Comment on 'Density-functional treatment of an exactly solvable semiconductor model'".
Physical Review Letters 60 1583, 1988.
Gunnarsson O., Andersen O.K., Jepsen O., Zaanen J.
Ab initio calculation of the parameters in the Anderson model.
Core-Level Spectroscopy in Condensed Systems. Proceedings of the Tenth Taniguchi International Symposium Editor(s): Kanamori, J.; Kotani, A. Berlin, West Germany: Springer-Verlag, 1988. p.82-98 of xi+302 pp. 27 refs. Conference: Kashikojima, Japan, 19-23 Oct 1987 ISBN: 3-540-19112-7 , 1987.
Hanfland M., Alouani M., Syassen K., Christensen N.E.
Optical properties of metallic silicon.
Physical Review B 38 12864-7, 1988.
Methfessel M.
Elastic constants and phonon frequencies of Si calculated by a fast full-potential linear-muffin-tin-orbital method.
Physical Review B 38 1537-40, 1988.
Norman M. R., Albers R. C., Boring A. M., Christensen N. E.
FERMI-SURFACE AND EFFECTIVE MASSES FOR THE HEAVY-ELECTRON SUPERCONDUCTOR UPT3.
Solid State Communications 68 245-249, 1988.
Oh S. J., Suga S., Kakizaki A., Taniguchi M., Ishii T., Kang J. S., Allen J. W., Gunnarsson O., Christensen N. E., Fujimori A., Suzuki T., Kasuya T., Miyahara T., Kato H., Schonhammer K., Torikachvili M. S., Maple M. B.
OBSERVATION OF KONDO RESONANCE IN YBAL3.
PHYSICAL REVIEW B-CONDENSED MATTER 37 2861-2866, 1988.
Oles A.M., Zaanen J.
Absence of pairing mechanism due to coupling of oxygen holes to localized spins in high-Tc superconductors.
Physica C 153-155 1229-30, 1988.
Oles A.M., Zaanen J.
Model study of antiferromagnetism in high-Tc superconducting oxides.
Journal of Magnetism and Magnetic Materials 76-77 568-70, 1988.
Parlebas J.C., Christensen N.E., Runge E., Zwicknag G.
Quasiparticle band structure of Ce-based heavy-fermion compounds.
Journal de Physique Colloque 49 753-4, 1988.
Pathak A.P., Satpathy S.
Channeling radiation from relativistic electrons and positrons in C, Si, Ge: results of a local density calculation.
Nuclear Instruments & Methods in Physics Research, Section 49 39-41, 1988.
Polatoglou H.M., Methfessel M.
Cohesive properties of solids calculated with the simplified total-energy functional of Harris.
Physical Review B 37 10403-6, 1988.
Said M., Maca F., Kambe K., Scheffler M., Christensen N. E.
ELECTRONIC-STRUCTURE OF FCC AND BCC CLOSE-PACKED SILVER SURFACES.
PHYSICAL REVIEW B-CONDENSED MATTER 38 8505-8507, 1988.
Satpathy S., Pawlowska Z.
Construction of bond-centered Wannier functions for silicon valence bands.
Physica Status Solidi B 145 555-65, 1988.
Schluter M., Hybertsen M. S., Christensen N. E.
CALCULATION OF THE MANY-BODY INTERACTION PARAMETERS IN THE HIGH-TC COMPOUND LA2CUO4.
Physica C 153 1217-1218, 1988.
Schonhammer K., Gunnarsson O.
DIFFERENCE BETWEEN THE QUASIPARTICLE AND THE KOHN-SHAM-FERMI SURFACES.
PHYSICAL REVIEW B-CONDENSED MATTER 37 3128-3129, 1988.
da Silva E.Z., Jepsen O., Andersen O.K.
Electronic properties of Ni-based Heusler alloys.
Solid State Communications 67 13-14, 1988.
Sob M., Jepsen O., Andersen O.K.
A first-principles tight-binding method for electronic structure calculations in amorphous solids.
Zeitschrift fur Physikalische Chemie, Neue Folge 157 515-20, 1988.
Sokolovski D.
Resonance tunneling in a periodic time-dependent external field.
Physical Review B 37 4201-8, 1988.
Springborg M.
Helical polyacetylene: a first-principles approach.
Physical Review B 37 1218-27, 1988.
Springborg M., Jones R.O.
Sulfur and selenium helices: structure and electronic properties.
Journal of Chemical Physics 88 2652-8, 1988.
Svane A., Gunnarsson O.
LOCALIZATION IN THE SELF-INTERACTION-CORRECTED DENSITY-FUNCTIONAL FORMALISM.
PHYSICAL REVIEW B-CONDENSED MATTER 37 9919-9922, 1988.
Svane A., Gunnarsson O.
ANTI-FERROMAGNETIC MOMENT FORMATION IN THE SELF-INTERACTION CORRECTED DENSITY FUNCTIONAL FORMALISM.
Europhysics Letters 7 171-175, 1988.
Verges J.A., Alouani M., Christensen N.E.
Calculated electronic properties of tetragonal crystalline Si-Ge alloys: comparison to amorphous phases.
Physical Review B 38 1378-83, 1988.
Weinert C. M., Beeler F., Scheffler M.
A TOTAL-ENERGY CALCULATION FOR ISOLATED OXYGEN IMPURITIES IN SILICON.
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS 21 841-846, 1988.
Wentzcovitch R. M., Cardona M., Cohen M. L., Christensen N. E.
X1 AND X3 STATES OF ELECTRONS AND PHONONS IN ZINCBLENDE TYPE SEMICONDUCTORS.
Solid State Communications 67 927-930, 1988.
Weyrich K.H.
Full-potential linear muffin-tin-orbital method.
Physical Review B 37 10269-82, 1988.
Weyrich K. H.
Full potential LMTO (linear muffin tin orbital) calculations for perovskites.
Ferroelectrics 79 65-8, 1988.
Weyrich K.H., Brey L., Christensen N.E.
Full-potential linear-muffin-tin-orbital calculation of phonon frequencies in semiconductors.
Physical Review B 38 1392-6, 1988.
Winer K., Bose S.K.
Effects of topological distortion on the properties of silicon.
Physical Review B 38 12683-6, 1988.
Zaanen J., Jepsen O., Gunnarsson O., Paxton A.T., Andersen O.K., Svane A.
What can be learned about high Tc from local density theory?.
Physica C 153-155 1636-41, 1988.
Zaanen J., Oles A.M.
Canonical perturbation theory and the two-band model for high-Tc superconductors.
Physical Review B 37 9423-38, 1988.
Zaanen J., Paxton A.T., Jepsen O., Andersen O.K.
Chain-fragment doping and the phase diagram of YBa2Cu3O7-x.
Physical Review Letters 60 2685-8, 1988.
Zhukov V.P., Gubanov V.A., Jepsen O., Christensen N.E., Andersen O.K.
Calculated energy-band structures and chemical bonding in titanium and vanadium carbides, nitrides and oxides.
Journal of the Physics and Chemistry of Solids 49 841-9, 1988.
Zhukov V. P., Gubanov V. A., Jepsen O., Christensen N. E., Andersen O. K.
CALCULATED ELECTRONIC-PROPERTIES OF TITANIUM CARBONITRIDES TICXN1-X.
PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER 58 139-152, 1988.


 
 

Publications in the year 1987

Andersen O.K., Jepsen O., Sob M.
Linearized Band Structure Methods in "Electronic Band Structure and its Applications"
Proc. of the Intern. School on ...., Kanpur. Ed. M. Yussouff (Springer-Verlag, 1987), page 1 , 1987.
Beeler F., Andersen O.K., Gunnarsson O., Jepsen O., Scheffler M.
Electronic-structure calculation of point defects in silicon.
Computer Physics Communications 44 297-305, 1987.
Beeler F., Andersen O.K., Scheffler M.
Electronic-structure calculation of 3d and 4d transition-metal point defects in silicon.
18th International Conference on the Physics of Semiconductors Editor(s): Engstrom, O. Singapore: World Scientific, 1987. p.875-8 vol.2 of 2 vol. , 1987.
Bisi O., Jepsen O., Andersen O. K.
ELECTRONIC STATES, BONDING, AND X-RAY ABSORPTION-SPECTRA OF PD2SI.
PHYSICAL REVIEW B-CONDENSED MATTER 36 9439-9450, 1987.
Boring A. M., Albers R. C., Schadler G. H., Lawson A. C., Weinberger P., Christensen N. E.
ELECTRONIC-STRUCTURE AND MAGNETIC-BEHAVIOR OF UMN2 AND UFE2.
PHYSICAL REVIEW B-CONDENSED MATTER 36 5507-5511, 1987.
Bose S.K., Winer K., Andersen O.K.
Electronic properties of a realistic model of amorphous silicon.
Journal of Non-Crystalline Solids 97-98 459-62, 1987.
Brey L., Christensen N.E., Cardona M.
Deformation potentials at the valence-band maximum in semiconductors.
Physical Review B 36 2638-44, 1987.
Bullett D. W.
Electronic structure of osmium cluster carbonyls: ...
Chemical Physics Letters 135 373, 1987.
Cardona M., Christensen N.E.
Acoustic deformation potentials and heterostructure band offsets in semiconductors.
Physical Review B 35 6182-94, 1987.
Cardona M., Suemoto T., Christensen N. E., Isu T., Ploog K.
Electronic and vibronic structure of the (gallium arsenide)1(aluminum arsenide)1 superlattice.
Physical Review B 36 5906-13, 1987.
Cardona M., Christensen N.E., Fasol G.
Inversion asymmetry effects on the spin-orbit coupling in zincblende-type semiconductors.
18th International Conference on the Physics of Semiconductors Editor(s): Engstrom, O. Singapore: World Scientific, 1987. p.1133-6 vol.2 of 2 vol. , 1986.
Castellani N. J., Leroy D. B., Lambrecht W. R. L.
ON THE RELATION BETWEEN XPS AND AES RELAXATION ENERGIES IN METALS.
Journal of Electron Spectroscopy and Related Phenomena 42 161-169, 1987.
Christensen N.E.
Calculation of cohesive and bonding properties and structural stability of semiconductors under pressure.
Physica Scripta Volume T 42 298-310, 1987.
Christensen N.E., Mackintosh A.R.
Electronic structure of cubic sodium tungsten bronze.
Physical Review B 35 8246-8, 1987.
Christensen N.E., Satpathy S., Pawlowska Z.
Bonding and ionicity in semiconductors.
Physical Review B 36 1032-50, 1987.
Ciccacci F., Molinari E., Christensen N. E.
GAAS/ALAS MONOLAYER SUPERLATTICES - A NEW CANDIDATE FOR A HIGHLY SPIN-POLARIZED ELECTRON SOURCE.
Solid State Communications 62 1-3, 1987.
Ekenberg U., Altarelli M.
Effect of coupling between heavy and light holes on the binding energy of an exciton in a quantum well.
Superlattices and Microstructures 3 199-204, 1987.
Frota-Pessoa S.
Spin-polarized band via the recursion method: FeNi3 as a test case.
Physical Review 36 904, 1987.
Garriga M., Cardona M., Christensen N.E., Lautenschlager P., Isu T., Ploog K.
Interband transitions of thin-layer GaAs/AlAs superlattices.
Physical Review B 36 3254-8, 1987.
Gunnarsson O., Li T.C.
Resonance photoemission for f-electron systems.
Physical Review B 36 9488-99, 1987.
Gunnarsson O., Schonhammer K.
Many-body theory for spectra of f-electron systems.
Physica Scripta Volume T 19A 273-81, 1987.
Gunnarsson O., Schonhammer K.
Intermediate valence spectroscopy.
Giant Resonances in Atoms, Molecules, and Solids. Proceedings of a NATO Advanced Study Institute Editor(s): Connerade, J.P.; Esteva, J.M.; Karnatak, R.C. New York, NY, USA: Plenum, 1987. p.405-30 of xi+570 pp. 38 refs. Conference: Les Houches, France, 16-26 June 1986 Sponsor(s): NATO ISBN: 0-306-42564-5 , 1987.
Gunnarsson O., Jones R. O., Schönhammer K.
Density-Functional Formalism: VXC' Discontinuities and the Local Density Approximation
in: "Electronic Band Structure and its Applications, Proc. of the Intern. School on ...", Kanpur. Ed. M. Yussouff, p. 77 (Springer-Verlag, 1987). , 1987.
Gunnarsson O., Schönhammer K.
Many-Body Formulation or Spectra of Mixed Valence Systems
Handbook on the Physics and Chemistry of Rare Earths, Vol. 10. Eds. K. A. Gschneider, L. Eyring, S. Hüfner, Elsevier Science Publ. , 1987.
Herman F., Kasowski R. V., Hsu W. Y.
ELECTRONIC-STRUCTURE OF OXYGEN-DEFICIENT HIGH-TC SUPERCONDUCTORS - YBA2CU3OX (6-LESS-THAN-OR-EQUAL-TO-X-LESS-THAN-OR-EQUAL-TO-8).
PHYSICAL REVIEW B-CONDENSED MATTER 36 6904-6914, 1987.
Lambrecht W.R.L.
Comment on 'Theory of incomplete crystals and crystalline interfaces' by F. Garcia-Moliner and V.R. Velasco.
Physica Scripta 35 724-5, 1987.
Lambrecht W.R.L., Christensen N.E., Blochl P.
Electronic structure and properties of NiSi2 and CoSi2 in the fluorite and adamantane structures.
Physical Review B 36 2493-503, 1987.
Li T.C., Gunnarsson O., Schonhammer K., Zwicknagl G.
Local Fermi liquid theory of the Anderson impurity model.
Journal of Physics C 20 405-17, 1987.
Oles A.M., Zaanen J., Fulde P.
How strongly are electrons correlated in the high-Tc superconducting materials?.
Physica B & C 148 B+C 260-3, 1987.
Schonhammer K., Bonig L., Gunnarsson O.
ELECTRONIC FRICTION IN METALS AND AT METAL-SURFACES.
Progress in Surface Science 26 1-17, 1987.
Schonhammer K., Gunnarsson O.
DISCONTINUITY OF THE EXCHANGE CORRELATION POTENTIAL IN DENSITY FUNCTIONAL THEORY.
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS 20 3675-3689, 1987.
Schonhammer K., Gunnarsson O.
MANY-BODY THEORY FOR INTERMEDIATE VALENCE SPECTROSCOPIES.
Journal of Magnetism and Magnetic Materials 63-4 481-486, 1987.
Sokolovski D., Baskin L.M.
Traversal time in quantum scattering.
Physical Review A 36 4604-11, 1987.
Springborg M., Andersen O.K.
Method for calculating the electronic structures of large molecules; helical polymers.
Journal of Chemical Physics 87 7125-45, 1987.
Svane A.
Hartree-Fock band-structure calculations with the linear muffin-tin-orbital method: application to C, Si, Ge, and alpha -Sn.
Physical Review B 35 5496-502, 1987.
Syassen K., Christensen N.E., Winzen H., Fischer K., Evers J.
Optical response and band-structure calculations of alkaline-earth tellurides under pressure.
Physical Review B 35 4052-9, 1987.
Vargas P., Christensen N.E.
Band-structure calculations for Ni, Ni4H, Ni4H2, Ni4H3, and NiH.
Physical Review B 35 1993-2004, 1987.
Wang C. S., Norman M. R., Albers R. C., Boring A. M., Pickett W. E., Krakauer H., Christensen N. E.
FERMI-SURFACE OF UPT3 WITHIN THE LOCAL-DENSITY APPROXIMATION.
PHYSICAL REVIEW B-CONDENSED MATTER 35 7260-7263, 1987.
Zhukov V.P., Gubanov V.A., Jepsen O., Christensen N.E., Andersen O.K.
Calculated electronic structures and chemical bonding in Sc and Y carbides.
Physica Status Solidi B 143 173-84, 1987.


 
 

Publications in the year 1986

Albers R. C., Boring A. M., Christensen N. E.
ELECTRONIC-STRUCTURE OF UPT3.
PHYSICAL REVIEW B-CONDENSED MATTER 33 8116-8129, 1986.
Allen J. W., Oh S. J., Gunnarsson O., Schonhammer K., Maple M. B., Torikachvili M. S., Lindau I.
ELECTRONIC-STRUCTURE OF CERIUM AND LIGHT RARE-EARTH INTERMETALLICS.
Advances in Physics 35 275-316, 1986.
Altarelli M.
Band structure, impurities, and excitons in superlattices.
in: "Semiconductor superlattices and Heterojunctions", Eds. G. Allan, G. Bastard, N. Boccara, M. Lannoo and M. Voos (Springer) , 1986.
Altarelli M.
Electronic properties of semiconductor quantum wells and superlattices
in: "Semiconductor Quantum Wells, Structures and Superlattices", eds. Ploog and N. T. Linh (Les Editions de Physique, Les Ulis), p. 29 , 1986.
Andersen O.K., Pawlowska Z., Jepsen O.
Illustration of the linear-muffin-tin-orbital tight-binding representation: compact orbitals and charge density in Si.
Physical Review B 34 5253-69, 1986.
Bisi O., Jepsen O., Andersen O.K.
Pd2Si: unoccupied one-particle states and white line in L2,3-edge absorption spectra.
Europhysics Letters 1 149-54, 1986.
Blacha A., Christensen N. E., Cardona M.
Electronic structure of the high-pressure modifications of copper chloride (CuCl), copper bromide (CuBr), and copper iodide (CuI).
Physical Review B 33 2413-21, 1986.
Bullett D. W.
Bonding in semiconducting ag6-cluster compounds ...
Phys. Rev. B 33 2429, 1986.
Cardona M., Christensen N.E.
Deformation potentials of the direct gap of diamond.
Solid State Communications 58 421-4, 1986.
Cardona M., Christensen N.E., Dobrowolska M., Furdyna J.K., Rodriguez S.
Spin splitting of the conduction band of InSb along (110).
Solid State Communications 60 17-19, 1986.
Cardona M., Christensen N.E., Fasol G.
Terms linear in k in the band structure of zinc-blende-type semiconductors.
Physical Review Letters 56 2831-3, 1986.
Christensen N.E.
Calculated equation of state of InAs.
Physical Review B 33 5096-8, 1986.
Christensen N.E., Christensen O.B.
Electronic structure of ZnTe and CdTe under pressure.
Physical Review B 33 4739-46, 1986.
Christensen N.E., Satpathy S., Pawlowska Z.
First-principles theory of tetrahedral bonding and crystal structure of lead.
Physical Review B 34 5977-80, 1986.
Ekenberg U.
Properties of two-dimensional hole gases of inversion and accumulation layers in magnetic fields.
Surface Science 170 601-5, 1986.
Fasolino A., Altarelli M.
ELECTRONIC SUBBANDS AND LANDAU-LEVELS IN ALGAAS SAWTOOTH SUPERLATTICES.
Surface Science 170 606-610, 1986.
Gunnarsson O., Schonhammer K.
Density-functional treatment of an exactly solvable semiconductor model.
Physical Review Letters 56 1968-71, 1986.
Gunnarsson O., Schonhammer K.
Many body theory for spectroscopies of Ce mixed valence compounds.
Journal de Physique Colloque 47 923-30, 1986.
Jepsen O., Jones R.O.
Surface barrier in W(110). I. Self-consistent film calculations.
Physical Review B 34 6695-8, 1986.
Kelly P.J., Glotzel D.
Electronic properties of expanded cesium.
Physical Review B 33 5284-93, 1986.
Lambrecht W.R.L.
Analysis of core-level shifts in some metallic Ni compounds.
Physical Review B 34 7421-4, 1986.
Lambrecht W.R.L., Andersen O.K.
Minimal basis sets in the linear muffin-tin orbital method: application to the diamond-structure crystals C, Si, and Ge.
Physical Review B 34 2439-49, 1986.
Lambrecht W.R.L., Andersen O.K.
Tight-binding muffin-tin orbital Green's function method for surface and interface electronic structure calculations.
Surface Science 178 256-63, 1986.
Pawlowska Z., Christensen N.E., Satpathy S., Jepsen O.
Calculated electron densities and sp3-bonding character for binary and ternary Zintl phases.
Physical Review B 34 7080-8, 1986.
Puska M.J., Jepsen O., Gunnarsson O., Nieminen R.M.
Electronic structure and positron states at vacancies in Si and GaAs.
Physical Review B 34 2695-705, 1986.
Sarma D. D., Hillebrecht F. U., Gunnarsson O., Schonhammer K.
SYSTEMATICS IN THE CORE LEVEL SPECTRA OF TH-INTERMETALLICS.
ZEITSCHRIFT FUR PHYSIK B-CONDENSED MATTER 63 305-311, 1986.
Satpathy S.
Electron energy bands and cohesive properties of CsCl, CsBr, and CsI.
Physical Review B 33 8706-15, 1986.
Satpathy S.
Dielectric breakdown in three-dimensions: Results of numerical simulation.
Physical Review B 33 5093-5, 1986.
Satpathy S.
Electronic structure of the truncated-icosahedral C60 cluster.
Chemical Physics Letters 130 545-50, 1986.
Satpathy S., Niemeyer L., Pietronero L., Wiesmann H.J.
Comment on 'Fractal dimension of dielectric breakdown' (and reply).
Physical Review Letters 57 649-50, 1986.
Satpathy S.
Dielectric breakdown in three Dimensions
Fractals in Physics, L. Pietronero, E. Tosatti Eds. Elsevier Science Publ. 1986, 173 , 1986.
Springborg M.
Self-consistent electronic structures of polyacetylene.
Physical Review B 33 8475-89, 1986.
Springborg M.
Self-consistent, first principles calculations of the electronic structures of a linear, infinite carbon chain.
Journal of Physics C 19 4473-82, 1986.
Springborg M.
Self-consistent electronic structures of polyacetylene. The pi electrons.
Physica Scripta T13 306-13, 1986.
Springborg M., Jones R.O.
Energy surfaces of polymeric sulfur: structure and electronic properties.
Physical Review Letters 57 1145-8, 1986.
Springborg M., Taurian O.E.
Self-consistent electronic structures of CaO and BaO.
Journal of Physics C 19 6347-55, 1986.
Svane A., Andersen O.K.
Evaluation of four-center integrals with the linear muffin-tin orbital tight-binding method.
Physical Review B 34 5512-17, 1986.


 
 

Publications in the year 1985

Albers R. C., Boring A. M., Weinberger P., Christensen N. E.
SOFT-X-RAY EMISSION INTENSITIES IN UIR3, UPT3, AND UAU3.
PHYSICAL REVIEW B-CONDENSED MATTER 32 7571-7574, 1985.
Altarelli M.
Subband dispersion and Landau levels in semiconductor heterojunctions and superlattices.
Festkoerperprobleme 25 381-8, 1985.
Altarelli M., Fasolino A.
Band structure and Landau levels of semiconductor superlattices in the envelope function approximation.
Proceedings of the International School of Physics 'Enrico Fermi'; Course LXXXIX. Highlights of Condensed-Matter Theory Editor(s): Bassani, F.; Fumi, F.; Tosi, M.P. Amsterdam, Netherlands: North-Holland, 1985. p.225-36 of xviii+916 pp. 23 refs. Conference: Varenna, Italy, 28 June-16 July 1983 ISBN: 0-444-86976-X , 1985.
Altarelli M., Ekenberg U., Fasolino A.
Calculations of hole subbands in semiconductor quantum wells and superlattices.
Physical Review B 32 5138-43, 1985.
Altarelli M.
Electronic structure of two-dimensional semiconductor systems
Journal of Luminiscence North-Holland, Amsterdam 30 472, 1985.
Alvarado S. F., Riechert H., Christensen N. E.
SPONTANEOUS SPIN POLARIZATION OF PHOTOELECTRONS FROM GAAS.
Physical Review Letters 55 2716-2718, 1985.
Andersen O.K., Jepsen O., Glotzel D.
Canonical description of the band structures of metals. (PDF)
Proceedings of the International School of Physics 'Enrico Fermi'; Course LXXXIX. Highlights of Condensed-Matter Theory Editor(s): Bassani, F.; Fumi, F.; Tosi, M.P. Amsterdam, Netherlands: North-Holland, 1985. p.59-176 of xviii+916 pp. 144 refs. Conference: Varenna, Italy, 28 June-16 July 1983 ISBN: 0-444-86976-X , 1985.
Bachelet G.B., Christensen N.E.
Relativistic and core-relaxation effects on the energy bands of gallium arsenide and germanium.
Physical Review B 31 879-87, 1985.
Bachelet G. B., Scheffler M.
No large lattice relaxations around the arsenic antisite defect in GaAs.
Proceedings of the 17th International Conference on the Physics of Semiconductors Editor(s): Chadi, J.D.; Harrison, W.A. New York, NY, USA: Springer-Verlag, 1985. p.755-60 of xxxvi+1580 pp. 22 refs. Conference: San Francisco, CA, USA, 6-10 Aug 1984 Sponsor(s): IUPAP; Int. Center Theor. Phys.; AIP; APS; American Vacuum Soc.; et al ISBN: 0-387-96108-9 , 1985.
Beeler F., Andersen O.K., Scheffler M.
Theoretical evidence for low-spin ground states of early interstitial and late substitutional 3d transition-metal ions in silicon.
Physical Review Letters 55 1498-501, 1985.
Beeler F., Andersen O.K., Scheffler M.
Electronic-structure calculation of 3d transition-metal point defects in silicon.
Microscopic Identification of Electronic Defects in Semiconductors Editor(s): Johnson, N.M.; Bishop, S.G.; Watkins, G.D. Pittsburgh, PA, USA: Mater. Res. Soc, 1985. p.129-35 of xv+604 pp. 19 refs. Conference: San Francisco, CA, USA, 15-18 April 1985 Sponsor(s): Mater. Res. Soc ISBN: 0-931837-11-1 , 1985.
Beeler F., Scheffler M., Jepsen O., Gunnarsson O.
Identification of chalcogen point-defect sites in silicon by total-energy calculations.
Physical Review Letters 54 2525-8, 1985.
Beeler F., Scheffler M., Jepsen O., Gunnarsson O.
Identification of chalcogen defects in silicon.
Microscopic Identification of Electronic Defects in Semiconductors Editor(s): Johnson, N.M.; Bishop, S.G.; Watkins, G.D. Pittsburgh, PA, USA: Mater. Res. Soc, 1985. p.117-21 of xv+604 pp. 16 refs. Conference: San Francisco, CA, USA, 15-18 April 1985 Sponsor(s): Mater. Res. Soc ISBN: 0-931837-11-1 , 1985.
Bullett D. W.
Electron States in Ni3(Co)6 and Pt3(Co)6
Chemical Physics Letters 115 450, 1985.
Bullett D. W.
Valence-band structures of phosphorus allotropes II
Solid State Commun. 55 257, 1985.
Bullett D. W.
Metal-Metal Bonding in Transition-Element and Lanthanoid Cluster Compounds
Inorg. Chem. 24 3319, 1985.
Car R., Kelly P. J., Oshiyama A., Pantelides S. T.
Microscopic Theory of Impurity-Defect Reactions and Impurity Diffusion in Silicon
Physical Review Lett. 54 360, 1985.
Christensen N.E.
Electronic structure and bonding in ternary Zintl phases: LiAlSi.
Physical Review B 32 6490-7, 1985.
Christensen N.E.
Structural phase stability of B2 and B32 intermetallic compounds.
Physical Review B 32 207-28, 1985.
Christensen N.E., Heine V.
Analysis of the electronic pressure in transition and noble metals.
Physical Review B 32 6145-56, 1985.
Christensen N.E., Molinari E., Bachelet G.B.
Long range order in Al0.5Ga0.5As: local density calculation of the electronic structure.
Solid State Communications 56 125-6, 1985.
Christensen N.E., Satpathy S.
Pressure-induced cubic to tetragonal transition in CsI.
Physical Review Letters 55 600-3, 1985.
Christensen N.E., Bachelet G.B.
1S core shifts and the gap of tetrahedral semiconductors.
Proceedings of the 17th International Conference on the Physics of Semiconductors Editor(s): Chadi, J.D.; Harrison, W.A. New York, NY, USA: Springer-Verlag, 1985. p.1009-12 of xxxvi+1580 pp. 16 refs. Conference: San Francisco, CA, USA, 6-10 Aug 1984 Sponsor(s): IUPAP; Int. Center Theor. Phys.; AIP; APS; American Vacuum Soc.; et al ISBN: 0-387-96108-9 , 1985.
Ekenberg U., Altarelli M.
Subbands and Landau levels in the two-dimensional hole gas at the GaAs-AlxGa1-xAs interface.
Physical Review B 32 3712-22, 1985.
Gunnarsson O., Jones R.O.
Total-energy differences: sources of error in local-density approximations.
Physical Review B 31 7588-602, 1985.
Gunnarsson O., Schonhammer K.
Double occupancy of the f orbital in the Anderson model for Ce compounds.
Physical Review B 31 4815-34, 1985.
Gunnarsson O., Schonhammer K.
Double occupancy in the Anderson model.
Journal of Magnetism and Magnetic Materials 47-48 266-8, 1985.
Gunnarsson O., Schonhammer K.
The dynamic susceptibility of Ce compounds in the 1/Nf expansion.
Journal of Magnetism and Magnetic Materials 52 227-9, 1985.
Gunnarsson O., Schonhammer K.
Spectroscopic properties of mixed valence compounds in the impurity model.
Journal of Magnetism and Magnetic Materials 52 141-6, 1985.
Gunnarsson O., Schonhammer K.
Ground-state and spectroscopic properties of the finite U Anderson model.
Theory of Heavy Fermions and Valence Fluctuations. Proceedings of the Eighth Taniguchi Symposium Editor(s): Kasuya, T.; Saso, T. Berlin, West Germany: Springer-Verlag, 1985. p.110-19 of xii+287 pp. 23 refs. Conference: Shima Kanko, Japan, 10-13 April 1985 ISBN: 3-540-15922-3 , 1985.
Gunnarsson O., Schonhammer K.
The frequency-dependent susceptibility in the Anderson model.
Theory of Heavy Fermions and Valence Fluctuations. Proceedings of the Eighth Taniguchi Symposium Editor(s): Kasuya, T.; Saso, T. Berlin, West Germany: Springer-Verlag, 1985. p.100-7 of xii+287 pp. 13 refs. Conference: Shima Kanko, Japan, 10-13 April 1985 ISBN: 3-540-15922-3 , 1985.
Gunnarsson O., Schonhammer K., Sarma D.D., Hillebrecht F.U., Campagna M.
Core-level spectra of Th compounds.
Physical Review B 32 5499-501, 1985.
Hanfland M., Syassen K., Christensen N. E.
Volume Dependence of Optical Transitions in GaAs: Photomodulated reflectivity
Journal de Physique, Colloque C8, Supp. no. 11, Tome 45 , 1985.
Herman F., Lambin P., Jepsen O.
ELECTRONIC AND MAGNETIC-STRUCTURE OF ULTRATHIN COBALT-CHROMIUM SUPERLATTICES.
PHYSICAL REVIEW B-CONDENSED MATTER 31 4394-4402, 1985.
Jones R. O., Gunnarsson O.
DENSITY-FUNCTIONAL FORMALISM - SOURCES OF ERROR IN LOCAL-DENSITY APPROXIMATIONS.
Physical Review Letters 55 107-110, 1985.
Lambrecht W., Castellani N. J., Leroy D. B.
Pseudopotential Linear Response Method for Core Hole Screening in Metals
Solid State Commun. 56 1073, 1985.
Maan J., Fasolino A., Belli G., Altarelli M., Ploog K.
Interband Magneto-optical Studies of GaAs-Ga1-x,AlxAs Quantum Wells
PROC: of the 17th Intern. Conference on the Physics of Semicond. Ed. by J. D. Chadi and W. A.Harrison, Springer-Verlag New York , 1985.
Manghi F., Riegler G., Bertoni C. M., Bachelet G. B.
BAND-STRUCTURE CALCULATION FOR GAAS AND SI BEYOND THE LOCAL-DENSITY APPROXIMATION.
PHYSICAL REVIEW B-CONDENSED MATTER 31 3680-3688, 1985.
Molinari E., Bachelet G. B., Altarelli M.
GREEN-FUNCTION APPROACH TO REALISTIC CALCULATIONS OF THE ELECTRONIC-STRUCTURE OF SEMICONDUCTOR INTERFACES.
Surface Science 152 1178-1184, 1985.
Molinari E., Bachelet G. B., Altarelli M.
Green's function matching method for realistic calculations of interfaces.
Journal de Physique. Colloques C 4 321-9, 1985.
Satpathy S., Andersen O. K.
Interstitial carbon molecules, metal-metal bonds, and chemical binding in Gd10C4Cl18.
Inorganic Chemistry 24 2604-8, 1985.
Scheffler M., Beeler F., Jepsen O., Gunnarsson O., Andersen O. K., Bachelet G. B.
Chemical Bonding and Lattice Relaxations of Deep-Level Defects
13th ICDS Conference Proceedings, The Metallurgical Society of AIME, 45 , 1985.
Scheffler M., Beeler F., Andersen O. K., Gunnarsson O., Jepsen O.
Parameter-free Total-Energy and Force Calc. for defects in Semiconductors
Proc. 7th Internat. Summer School "Defects in Crystals", Szczyrk, Poland , 1985.
Schonhammer K., Gunnarsson O.
LOCAL POLARON EFFECTS IN MIXED-VALENCE SYSTEMS.
Journal of Magnetism and Magnetic Materials 47-8 309-311, 1985.
Schonhammer K., Gunnarsson O.
Energy Dissipation at Metal Surface: The Electron-Hole Pair Mechanism
Proceeding at the 7th Taniguchi Symp. "Dynamical Processes and Ordering on Solid Surface". Eds. A. Yoshimori and M. Tsukada, Springer-Verlag. , 1985.
Taurian O.E., Springborg M., Christensen N.E.
Self-consistent electronic structures of MgO and SrO.
Solid State Communications 55 351-5, 1985.
Ves S., Strossner K., Christensen N.E., Chul Koo Kim, Cardona M.
Pressure dependence of the lowest direct absorption edge of ZnSe.
Solid State Communications 56 479-83, 1985.


 
 

Publications in the year 1984

Andersen O.K., Jepsen O.
Explicit, first-principles tight-binding theory.
Physical Review Letters 53 2571-4, 1984.
Andersen O. K., Satpathy S.
Calculation of the electronic band structure for the 3d-monoxides and the vacancy compound niobium oxide (Nb3O3).
Basic Prop. Binary Oxides, [Proc. Colloq.] (1984), Meeting Date 1983, 21-42. Editors: Dominguez-Rodriguez, Arturo; Castaining, Jacques; Marquez, R. Publisher: Serv. Publ. Univ. Servilla, Serville, Spain. CODEN: 53XDA6 , 1984.
Andersen O.K.
Linear methods in band theory.
Electronic Structure of Complex Systems. Proceedings of a NATO Advanced Study Institute Editor(s): Phariseau, P.; Temmerman, W.M. New York, NY, USA: Plenum, 1984. p.11-66 of viii+803 pp. 22 refs. Conference: Ghent, Belgium, 12-23 July 1982 Sponsor(s): NATO; NSF; State Univ. Ghent ISBN: 0-306-41824-X , 1982.
Christensen N.E.
Electronic structure of GaAs under strain.
Physical Review B 30 5753-65, 1984.
Christensen N.E.
Nonspherical charge distributions and electrostatic interactions in crystals.
Physical Review B 29 5547-53, 1984.
Christensen N.E.
'Force theorem' and elastic constants of solids.
Solid State Communications 49 701-5, 1984.
Christensen N.E.
First-principles calculation of deformation potentials of copper halides.
Physica Status Solidi B 123 281-8, 1984.
Christensen N. E.
RELATIVISTIC BAND-STRUCTURE CALCULATIONS.
International Journal of Quantum Chemistry 25 233-261, 1984.
Christensen N.E.
Deformation potentials and internal strain parameter of silicon.
Solid State Communications 50 177-80, 1984.
Christensen N. E.
Deformation potentials of the valence band edge in cuprous bromide.
Physica Status Solidi B 125 K59-K61, 1984.
Christensen N.E.
First-Principles Calculation of Elastic Constants of Transition Metals
Talk given at the CCP9 meeting at Cosener's House, Oct. 1983, Abbingdon, England, PSIk-Newsletter, No. 8, Aug. 84 , 1984.
Christensen N.E.
Spin-orbit splitting in the copper-halides under pressure
Proc. of Sol. State Phys. Conference, Thessaloniki, Mai 1982, p. 174 , 1984.
Christensen N.E., Cardona M.
Splitting of the conduction bands of GaAs for k along (110).
Solid State Communications 51 491-3, 1984.
Ekenberg U., Altarelli M.
Calculation of hole subbands at the GaAs-AlxGa1-xAs interface
Phys. Rev. B 30 3569, 1984.
Ekenberg U.
Impurity band tails in quantum-well heterostructures
Phys. Rev. B 30 3367, 1984.
Fujiwara T.
Electronic structure calculations for amorphous alloys.
Journal of Non-Crystalline Solids 61-62 1039-48, 1984.
Gunnarsson O., Schoenhammer K.
Model calculations of electron spectra for Ce mixed valence compounds.
Moment Formation in Solids. Proceedings of a NATO Advanced Study Institute Editor(s): Buyers, W.J.L. New York, NY, USA: Plenum, 1984. p.289-95 of xiv+336 pp. 18 refs. Conference: Vancouver Island, BC, Canada, 21 Aug-2 Sept 1983 ISBN: 0-306-41834-7 , 1984.
Gunnarsson O., Schoenhammer K.
Aspects of core level X-ray photoemission spectroscopy for large systems
Many-Body phenomena at surfaces, 221 (1984) Academic Press, Inc. , 1984.
Gunnarsson O., Jones R.O.
Exchange-correlation energy functionals in the density functional formalism.
Local Density Approximations in Quantum Chemistry and Solid State Physics. Proceedings of a Symposium on Local Density Approximations in Quantum Chemistry and Solid State Theory Editor(s): Dahl, J.P.; Avery, J. New York, NY, USA: Plenum, 1984. p.229-43 of xiii+851 pp. 37 refs. Conference: Copenhagen, Denmark, 10-12 June 1982 ISBN: 0-306-41667-0 , 1982.
Hanfland M., Syassen K., Christensen N. E.
VOLUME DEPENDENCE OF OPTICAL-TRANSITIONS IN GAAS - PHOTOMODULATED REFLECTIVITY.
Journal de Physique 45 57-60, 1984.
Hillebrecht F. U., Fuggle J. C., Sawatzky G. A., Campagna M., Gunnarsson O., Schonhammer K.
TRANSITION TO NONMAGNETIC F-STATES IN CE INTERMETALLIC COMPOUNDS STUDIED BY BREMSSTRAHLUNG ISOCHROMAT SPECTROSCOPY.
PHYSICAL REVIEW B-CONDENSED MATTER 30 1777-1787, 1984.
Jepsen O., Andersen O.K.
No error in the tetrahedron integration scheme.
Physical Review B 29 5965, 1984.
Jones R. O., Jennings P. J., Jepsen O.
SURFACE-BARRIER IN METALS - A NEW MODEL WITH APPLICATION TO W(001).
PHYSICAL REVIEW B-CONDENSED MATTER 29 6474-6480, 1984.
Koenig C., Christensen N.E., Kollar J.
Electronic properties of alkali-metal-gold compounds.
Physical Review B 29 6481-8, 1984.
Maan J. C., Belle G., Fasolino A., Altarelli M., Ploog K.
MAGNETO-OPTICAL DETERMINATION OF EXCITON BINDING-ENERGY IN GAAS-GA1-XALX AS QUANTUM WELLS.
PHYSICAL REVIEW B-CONDENSED MATTER 30 2253-2256, 1984.
Maan J. C., Fasolino A., Belle G., Altarelli M., Ploog K.
INTERBAND MAGNETO-OPTICAL EXPERIMENTS IN GA1-XALXAS-GAAS QUANTUM WELLS.
PHYSICA B&C 127 426-432, 1984.
Schonhammer K., Gunnarsson O.
LOCAL POLARON EFFECTS IN MIXED-VALENCE SYSTEMS - EXACT MODEL CALCULATION IN THE LIMIT OF LARGE DEGENERACY.
PHYSICAL REVIEW B-CONDENSED MATTER 30 3141-3157, 1984.
Schonhammer K., Gunnarsson O.
Energy Dissipation at metal surfaces: The Electron hole-pair mechanism
Many-Body Phenomena at Surfaces, 421 (1984) Academic Press, Inc. , 1984.
Weiler H., Meskini N., Hanke W., Altarelli M.
Binding energies of substitutional and interstitial donors in Si: many-electron effects.
Physical Review B 30 2266-9, 1984.


 
 

Publications in the year 1983

Altarelli M.
Electronic structure and semiconductor-semimetal transition in InAs-GaSb superlattices.
Physical Review B 28 842-5, 1983.
Altarelli M.
Electronic structure of semiconductor superlattices.
Physica B & C 117-118 B + C 747-9, 1983.
Altarelli M.
Electronic structure of semiconductor superlattices.
Application of High Magnetic Fields in Semiconductor Physics. Proceedings of the International Symposium Editor(s): Landwehr, G. Berlin, West Germany: Springer-Verlag, 1983. p.174-85 of xii+552 pp. 19 refs. Conference: Grenoble, France, 13-17 Sept 1982 ISBN: 3-540-11996-5 , 1983.
Altarelli M.
Excited states of double donors in silicon.
Physica B & C 117-118 B + C 122-4, 1983.
Altarelli M., Bachelet G.B., Bouche V., Del Sole R.
Electron-core-hole interactions at surfaces: an exactly soluble model.
Surface Science 129 447-81, 1983.
Andersen O.K., Satpathy S.
Calculation of the electronic bandstructure for the 3d-monoxides and the vacancy compound Nb3O3
In "Basic Properties of Binary Oxides" p. 21-42. Ed. Dominguez Rodriguez, J. Cataing, R. Marquez Universidad de Sevilla , 1983.
Blacha A., Cardona M., Christensen N.E., Ves S., Overhof H.
Volume dependence of the spin-orbit splitting in the copper halides.
Physica B & C 117-118 B + C 63-5, 1983.
Brooks M. S. S., Kelly P. J.
LARGE ORBITAL-MOMENT CONTRIBUTION TO 5F BAND MAGNETISM.
Physical Review Letters 51 1708-1711, 1983.
Brooks M. S. S., Kelly P. J.
ON THE COHESIVE ENERGY AND CHARGE-DENSITY OF URANIUM-DIOXIDE.
Solid State Communications 45 689-692, 1983.
Bullett D. W.
Bulk and surface electron state in WO3 and tungsten bronzes
J. Phys. C: Solid State Phys. 16 2197, 1983.
Christensen N.E., Kollar J.
Electronic structure of CsAu.
Solid State Communications 46 727-30, 1983.
Fuggle J. C., Hillebrecht F. U., Esteva J. M., Karnatak R. C., Gunnarsson O., Schonhammer K.
F-COUNT EFFECTS IN X-RAY-ABSORPTION SPECTRA OF THE 3D LEVELS IN CE AND ITS INTERMETALLIC COMPOUNDS.
PHYSICAL REVIEW B-CONDENSED MATTER 27 4637-4643, 1983.
Fuggle J. C., Hillebrecht F. U., Zolnierek Z., Lasser R., Freiburg C., Gunnarsson O., Schonhammer K.
ELECTRONIC-STRUCTURE OF CE AND ITS INTERMETALLIC COMPOUNDS.
PHYSICAL REVIEW B-CONDENSED MATTER 27 7330-7341, 1983.
Fujiwara T.
Electronic structures in glassy metallic alloys.
in "Amorphous Materials", Ed. V. Vitek by The Metallurgical Society of AIME(1983), p. 22 , 1983.
Fujiwara T.
Atomic structure and electronic state of metallic glasses.
Topological Disorder in Condensed Matter. Proceedings of the Fifth Taniguchi International Symposium Editor(s): Yonezawa, F.; Ninomiya, T. Berlin, West Germany: Springer-Verlag, 1983. p.111-21 of xii+253 pp. 26 refs. Conference: Shimoda, Japan, 2-5 Nov 1982 ISBN: 3-540-12663-5 , 1983.
Gunnarsson O., Jepsen O., Andersen O.K.
Self-consistent impurity calculations in the atomic-spheres approximation.
Physical Review B 27 7144-68, 1983.
Gunnarsson O., Schonhammer K.
Electron spectroscopies for Ce compounds in the impurity model.
Physical Review B 28 4315-41, 1983.
Gunnarsson O., Schonhammer K.
Photoemission from Ce compounds: exact model calculation in the limit of large degeneracy.
Physical Review Letters 50 604-7, 1983.
Gunnarsson O., Schonhammer K., Fuggle J.C., Hillebrecht F.U., Esteva J.-M., Karnatak R.C., Hillebrand B.
Occupancy and hybridization of the f level in Ce compounds.
Physical Review B 28 7330-3, 1983.
Harrison W. A.
THEORY OF THE 2-CENTER BOND.
PHYSICAL REVIEW B-CONDENSED MATTER 27 3592-3604, 1983.
Manghi F., Riegler G., Bertoni C. M., Calandra C., Bachelet G. B.
NONLOCAL EXCHANGE AND CORRELATION AND SEMICONDUCTOR BAND-STRUCTURE.
PHYSICAL REVIEW B-CONDENSED MATTER 28 6157-6160, 1983.
Podloucky R., Glotzel D.
BAND-STRUCTURE, COHESIVE PROPERTIES, AND COMPTON PROFILE OF GAMMA-CERIUM AND ALPHA-CERIUM.
PHYSICAL REVIEW B-CONDENSED MATTER 27 3390-3405, 1983.
Satpathy S.
Eigenstates of Wannier excitons near a semiconductor surface.
Physical Review B 28 4585-92, 1983.
Schonhammer K., Gunnarsson O.
ELECTRONIC FRICTION AND COVALENT CHEMISORPTION.
PHYSICAL REVIEW B-CONDENSED MATTER 27 5113-5115, 1983.
Schonhammer K., Gunnarsson O.
ENERGY-DISSIPATION AT METAL-SURFACES - ELECTRONIC VERSUS VIBRATIONAL EXCITATIONS.
Journal of Electron Spectroscopy and Related Phenomena 29 91-103, 1983.


 
 

Publications in the year 1982

Altarelli M., Bassani F.
Impurity States: Theoretical, Chapter 5
Handbook on Semiconductors North Holland Publishing Co. , 1982.
Blacha A., Cardona M., Christensen N.E., Ves S., Overhof H.
Spin-orbiting splitting of the copper halides and its volume dependence.
Solid State Communications 43 183-7, 1982.
Christensen N. E.
VOLUME DEPENDENCE OF THE SPIN ORBIT SPLITTING IN THE AU D-BAND.
Solid State Communications 44 51-54, 1982.
Fujiwara T.
ELECTRONIC-STRUCTURE IN AMORPHOUS CUXZR1-X ALLOYS.
JOURNAL OF PHYSICS F-METAL PHYSICS 12 L251-L254, 1982.
Gunnarsson O., Schonhammer K.
Interpretation of X-ray photoelectron spectra for large systems.
Physical Review B 26 2765-71, 1982.
Gunnarsson O., Schonhammer K.
Inelastic scattering of rare-gas atoms from metal surfaces. Excitation of electron-hole pairs.
Physical Review B 25 2514-21, 1982.
Gunnarsson O., Schonhammer K.
Boson approximations for localized dynamic perturbations in metals.
Physical Review B 25 2503-13, 1982.
Gunnarsson O., Schonhammer K.
One-step model of X-ray photoemission and Auger processes.
AIP Conference Proceedings 517-29, 1982.
Gunnarsson O., Schoenhammer K.
Electronic aspects of adsorption rates.
Springer Ser. Chem. Phys. 20 363-88, 1982.
Harrison W. A.
WHAT ELEMENTARY ELECTRONIC-STRUCTURE TELLS ABOUT SURFACES.
Abstracts of Papers of the American Chemical Society 183 120-COLL, 1982.
Jepsen O., Madsen J., Andersen O. K.
SPIN-POLARIZED ELECTRONIC-STRUCTURE OF THE NI(001) SURFACE AND THIN-FILMS.
PHYSICAL REVIEW B-CONDENSED MATTER 26 2790-2809, 1982.
Kelly P. J., Andersen O. K.
Band structure of the pseudo-one-dimensional compounds of type thallium molybdenum selenide (TlMo3Se3).
Supercond. d- f-Band Met., Proc. Conf., 4th (1982), 137-40. Editor(s): Buckel, W.; Weber, W. Publisher: KFK, Karlsruhe, Fed. Rep. Ger. CODEN: 50IDAE , 1982.
Maan J. C., Altarelli M., Sigg H., Wyder P., Chang L. L., Esaki L.
EFFECTIVE MASS DETERMINATION OF A HIGHLY DOPED INAS-GASB SUPER-LATTICE USING HELICON WAVE-PROPAGATION.
Surface Science
Altarelli M.
Substitutional donors and core excitons in many-valley semiconductors.
Physical Review Letters 46 205-8, 1981.
Andersen O.K.
New methods for the one-electron problem.
Europhysics News 12 4-8, 1981.
Bimberg D., Altarelli M., Lipari N. O.
A CALCULATION OF VALENCE BAND MASSES, EXCITON AND ACCEPTOR ENERGIES AND THE GROUND-STATE PROPERTIES OF THE ELECTRON-HOLE LIQUID IN CUBIC SIC.
Solid State Communications 40 437-440, 1981.
Car R., Selloni A., Altarelli M.
LOCAL FIELD CORRECTIONS TO BINDING-ENERGIES OF SUBSTITUTIONAL AND INTERSTITIAL DONORS IN SI AND GE.
Solid State Communications 39 1013-1016, 1981.
Finley J.J., Nohl H., Vogel E.E., Imoto H., Camley R.E., Zevin V., Andersen O.K., Simon A.
Level-crossing transition in the cluster compounds Nb6I11 and HNb6I11.
Physical Review Letters 46 1472-5, 1981.
Gloetzel D.
First principles calculation of the electronic pressure: application to transition metals, semiconductors and cerium.
Phys. Solids High Pressure, Proc. Int. Symp. , 1981.
Gloetzel D., Simpson R. W., Schober H. R.
Calculation of electron-phonon coupling and Tc for carbides and nitrides of titanium, vanadium, zirconium, and niobium.
Physical Review B 55 567-70, 1981.
Gunnarsson O., Jones R.O.
Self-interaction corrections in the density functional formalism.
Solid State Communications 37 249-52, 1981.
Gunnarsson O., Schonhammer K.
Additional information in Auger-electron-photoelectron coincidence spectroscopy?.
Physical Review Letters 46 859-61, 1981.
Jepsen O., Glotzel D., Mackintosh A. R.
POTENTIALS, BAND STRUCTURES, AND FERMI SURFACES IN THE NOBLE-METALS.
PHYSICAL REVIEW B-CONDENSED MATTER 23 2684-2696, 1981.
Johansson B., Skriver H. L., Andersen O. K.
Electronic Structure of the Actinide Metals
Invited Paper, Int. Symposium on the PHYSICS OF SOLIDS UNDER HIGH PRESSURE, Bad Honnef, West Germany, August 10-14, 1981 , 1981.
Kerker G.P.
Nonlocal-density approximation to exchange and correlation: effect on the silicon band structure.
Physical Review B 24 3468-73, 1981.
Kerker G.P.
Efficient iteration scheme for self-consistent pseudopotential calculations.
Physical Review B 23 3082-4, 1981.
Ley L., Kerker G.P., Martensson N.
Surface electronic structure of calcium, strontium, and barium.
Physical Review B 23 2710-17, 1981.
Nohl H., Andersen O. K.
Electronic structure and magnetic properties of the cluster compounds niobium iodide and hydrogen iodoniobate (Nb6I11 and HNb6I11).
Physical Review B 55 61-4, 1981.
Lipari N. O., Altarelli M.
Excition and shallow impurity states of semiconductors in an arbitrary magnetic field
In "Physics in high magnetic fiels" edited by S. Chikazumi and H. Miura, (Springer, Berlin, 1981) p. 180. , 1981.
Satpathy S., Altarelli M.
MODEL CALCULATION OF THE OPTICAL-PROPERTIES OF SEMICONDUCTOR QUANTUM WELLS.
PHYSICAL REVIEW B-CONDENSED MATTER 23 2977-2982, 1981.
Skriver H. L.
THE ELECTRONIC-STRUCTURE OF ANTI-FERROMAGNETIC CHROMIUM.
JOURNAL OF PHYSICS F-METAL PHYSICS 11 97-111, 1981.
Szablak B., Altarelli M.
ELECTRONIC-STRUCTURE OF LITHIUM INTERSTITIALS IN SI.
Solid State Communications 37 341-343, 1981.
Ves S., Glotzel D., Cardona M., Overhof H.
Pressure dependence of the optical properties and the band structure of the copper and silver halides.
Physical Review B 24 3073-85, 1981.


 
 

Publications in the year 1980

Altarelli M.
Ge donors in GaP and the role of higher band minima in impurity theory.
Journal of the Physical Society of Japan 49 169-72, 1980.
Altarelli M.
Germanium donors in gallium phosphide and the role of higher band minima in impurity theory.
Proc. Int. Conf. Phys. Semicond., 15th , 1980.
Andersen O.K., Johansson B., Skriver H.L.
Bandstructure and cohesion of the actinide metals.
Physica B & C 103, 1980.
Andersen O.K., Skriver H.L., Nohl H., Johansson B.
Electronic structure of transition metal compounds; ground-state properties of the 3d-monoxides in the atomic sphere approximation.
Pure and Applied Chemistry 52 93-118, 1980.
Brooks M. S. S., Glotzel D.
SOME ASPECTS OF THE ELECTRONIC-STRUCTURE OF URANIUM PNICTIDES AND CHALCOGENIDES.
PHYSICA B & C 102 51-58, 1980.
Fuggle J. C., Lasser R., Gunnarsson O., Schonhammer K.
PLASMON GAINS AS A MONITOR OF INCOMPLETE RELAXATION, INTERFERENCE EFFECTS, AND THE TRANSITION FROM SUDDEN TO ADIABATIC LIMITS IN ELECTRON SPECTROSCOPIES.
Physical Review Letters 44 1090-1093, 1980.
Glotzel D., Segall B., Andersen O.K.
Self-consistent electronic structure of Si, Ge and diamond by the LMTO-ASA method.
Solid State Communications 36 403-6, 1980.
Gunnarsson O., Schonhammer K.
DYNAMICAL THEORY OF AUGER PROCESSES.
Bulletin of the American Physical Society 25 235, 1980.
Gunnarsson O., Schoenhammer K.
One step description of XPS and Auger spectra.
Vide, Couches Minces 201 172-5, 1980.
Jepsen O., Madsen J., Andersen O. K.
SPIN-DENSITY IN THIN NI(100)-FILMS BY THE SELF-CONSISTENT LAPW METHOD.
Journal of Magnetism and Magnetic Materials 15-8 867-868, 1980.
Johansson B., Skriver H. L., Martensson N., Andersen O. K., Glotzel D.
PRESENCE AND CHARACTER OF THE 5F ELECTRONS IN THE ACTINIDE METALS.
PHYSICA B & C 102 12-21, 1980.
Kerker G. P.
NONSINGULAR ATOMIC PSEUDOPOTENTIALS FOR SOLID-STATE APPLICATIONS.
Bulletin of the American Physical Society 25 396, 1980.
Kerker G. P.
ELECTRONIC-STRUCTURE OF CA(100) AND CA(111).
Bulletin of the American Physical Society 25 292, 1980.
Kerker G.P.
Non-singular atomic pseudopotentials for solid state applications.
Journal of Physics C 13 L189-94, 1980.
Richter R., Jepsen O., Wilkins J. W.
SELF-CONSISTENT ELECTRONIC-STRUCTURE OF C(2X2) S ON NI(100).