Exchange energy in the local airy gas approximation

L. Vitos, B. Johansson, J. Kollár, H. L. Skriver

Research output: Contribution to journalArticle

88 Citations (Scopus)

Abstract

The Airy gas model of the edge electron gas is used to construct an exchange-energy functional that is an alternative to those obtained in the local-density and generalized-gradient approximations. Test calculations for rare-gas atoms, molecules, solids, and surfaces show that the Airy gas functional performs better than the local-density approximation in all cases and better than the generalized-gradient approximation for solids and surfaces.

Original languageEnglish
Pages (from-to)10046-10050
Number of pages5
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume62
Issue number15
DOIs
Publication statusPublished - Oct 15 2000

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Gases
energy transfer
Noble Gases
Local density approximation
Electron gas
Inert gases
approximation
gases
gradients
Atoms
Molecules
electron gas
rare gases
atoms
molecules

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Exchange energy in the local airy gas approximation. / Vitos, L.; Johansson, B.; Kollár, J.; Skriver, H. L.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 62, No. 15, 15.10.2000, p. 10046-10050.

Research output: Contribution to journalArticle

Vitos, L. ; Johansson, B. ; Kollár, J. ; Skriver, H. L. / Exchange energy in the local airy gas approximation. In: Physical Review B - Condensed Matter and Materials Physics. 2000 ; Vol. 62, No. 15. pp. 10046-10050.
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