Ground-state energy and one-body virial in density functional theory of atomic ions

A. Nagy, N. H. March

Research output: Contribution to journalArticle

Abstract

The relation between the ground-state energy and the one-body virial is discussed. Using a result of Levy and Perdew, the exchange energy, the correlation contribution to the kinetic energy and the correlation energy are also related to the one-body virial and contribution written explicitly in terms of the density. The sum of the orbital energies is likewise expressed.

Original languageEnglish
Pages (from-to)339-341
Number of pages3
JournalChemical Physics
Volume140
Issue number3
DOIs
Publication statusPublished - Feb 1 1990

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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