Evaluation of four-center integrals with the linear muffin-tin orbital tight-binding method.

Svane A., Andersen O.K.

The authors derive formulas for the general four-center integral and its Bloch sum within the basis of optimally localized muffin-tin orbitals in the atomic spheres approximation. As an example of application the Hartree and exchange energies of silicon are calculated and the cohesive energy determined in the local-density and Hartree-Fock approximations.

Physical Review B, 34 5512-17, 1986.

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