A Product Basis Method for Calculating Dielectric Matrices

F. Aryasetiawan and O. Gunnarsson
Max-Planck-Institut für Festkörperforschung, Stuttgart, Germany

We present a method for calculating dielectric matrices of periodic systems. Unlike the conventional method which uses a planewave basis, the present method employs a product basis, which in the Linear Muffin Tin Orbital formalism consists of products of orbitals. The method can be used for any system, sp as well as narrow band ones. We demonstrate the applicability of our method by calculating the energy loss spectra of Ni, including local field effects which require the full dielectric matrix. Good agreement with experiment is found. The small number of basis functions makes the method suitable for self-energy calculations within the GW approximation, without making the so called plasmon pole approximation for the dielectric matrix.

Physical Review B 49, 16214 (1994).

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