Density functional theory: Approximating quasiparticle density functional

Аннотация

Abstract A constructive approach for deriving the approximating quasiparticle energy density functional is proposed. As a matter of fact, the proposed approach is the direct development of the Kohn–Sham quasiparticle concept and the Levy–Valone approach. The approach presented takes into account a pseudopotential character of the exchange‐correlation part of the density functional and results in a system of functional equations to obtain ground‐state energies of many‐electron systems.

Темы

Идентификаторы

DOI

10.1002/qua.560250403

Цитирования и источники