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Density functional theory: Approximating quasiparticle density functional (1984)

Beznosjuk, Serge A. ; Kryachko, Eugene S.

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 25 (1984), S. 645-651

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ISSN: 0020-7608

Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: 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.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560250403

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