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Density functional theory: Approximating quasiparticle density functional
Author(s) -
Beznosjuk Serge A.,
Kryachko Eugene S.
Publication year - 1984
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560250403
Subject(s) - quasiparticle , pseudopotential , density functional theory , functional theory , hybrid functional , energy functional , constructive , physics , time dependent density functional theory , orbital free density functional theory , character (mathematics) , quantum mechanics , statistical physics , mathematics , computer science , superconductivity , geometry , process (computing) , operating system
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.
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