The analog of Koopmans' theorem in spin-density functional theory

O.V. Gritsenko; E.J. Baerends

doi:10.1063/1.1516800

The analog of Koopmans' theorem in spin-density functional theory

O.V. Gritsenko, E.J. Baerends

Theoretical Chemistry

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Abstract

Starting from the ground-state Schrödinger equation for the wave function with the spin S, the analysis and interpretation of spin-density functional theory was addressed. It was shown that with the physically reasonable zero gauges, the spin-unrestricted xc potential of the equation for √ρ

Original language	English
Pages (from-to)	9154-9159
Journal	Journal of Chemical Physics
Volume	117
Issue number	20
DOIs	https://doi.org/10.1063/1.1516800
Publication status	Published - 2002

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title = "The analog of Koopmans' theorem in spin-density functional theory",

abstract = "Starting from the ground-state Schr{\"o}dinger equation for the wave function with the spin S, the analysis and interpretation of spin-density functional theory was addressed. It was shown that with the physically reasonable zero gauges, the spin-unrestricted xc potential of the equation for √ρ",

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JF - Journal of Chemical Physics

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The analog of Koopmans' theorem in spin-density functional theory

Abstract

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