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

O.V. Gritsenko, E.J. Baerends

Research output: Contribution to JournalArticleAcademicpeer-review

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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 languageEnglish
Pages (from-to)9154-9159
JournalJournal of Chemical Physics
Volume117
Issue number20
DOIs
Publication statusPublished - 2002

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