Variational density-functional theory for an individual excited state

Mel Levy, Ágnes Nagy

Research output: Contribution to journalArticle

172 Citations (Scopus)

Abstract

It is shown that there exists a variational Kohn-Sham density-functional theory, with a minimum principle, for the self-consistent determination of an individual excited-state energy and density. Exact properties of the required functional are ascertained, including a Koopmans theorem. This knowledge allows the employment of an effective potential that gives encouraging numerical results, and also helps to explain the success of a recent perturbation theory and its time-dependent counterpart.

Original languageEnglish
Pages (from-to)4361-4364
Number of pages4
JournalPhysical review letters
Volume83
Issue number21
DOIs
Publication statusPublished - Jan 1 1999

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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