Variational density-functional theory for degenerate excited states

A. Nagy, M. Levy

Research output: Contribution to journalArticle

76 Citations (Scopus)

Abstract

Variational time-independent density functional theory for an excited state was extended to degenerate states. Kohn-Sham equations to degenerate excited states in spherically symmetric systems were considered. In the nondegenerate exchange-only case the energy was taken as the average of the total Hamiltonian with a single Slater determinant.

Original languageEnglish
Pages (from-to)525021-525026
Number of pages6
JournalPhysical Review A
Volume63
Issue number5
Publication statusPublished - May 2001

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density functional theory
determinants
excitation
energy

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Physics and Astronomy(all)

Cite this

Variational density-functional theory for degenerate excited states. / Nagy, A.; Levy, M.

In: Physical Review A, Vol. 63, No. 5, 05.2001, p. 525021-525026.

Research output: Contribution to journalArticle

Nagy, A. ; Levy, M. / Variational density-functional theory for degenerate excited states. In: Physical Review A. 2001 ; Vol. 63, No. 5. pp. 525021-525026.
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