Excitation energies calculated with parameter-free exchange potential in the density functional theory

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Abstract

The parameter-free exchange potential of Gaspar (1974) has been applied to determine excitation energies of Na and K atoms. The calculations have been done with the fractional-occupation approach of the density functional theory formulated by Gross et al. (1988).

Original languageEnglish
Article number008
Pages (from-to)4691-4694
Number of pages4
JournalJournal of Physics B: Atomic, Molecular and Optical Physics
Volume24
Issue number22
DOIs
Publication statusPublished - Nov 28 1991

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occupation
density functional theory
excitation
atoms
energy

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Atomic and Molecular Physics, and Optics

Cite this

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title = "Excitation energies calculated with parameter-free exchange potential in the density functional theory",
abstract = "The parameter-free exchange potential of Gaspar (1974) has been applied to determine excitation energies of Na and K atoms. The calculations have been done with the fractional-occupation approach of the density functional theory formulated by Gross et al. (1988).",
author = "A. Nagy",
year = "1991",
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doi = "10.1088/0953-4075/24/22/008",
language = "English",
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