Exchange energy in the local Airy gas approximation

Levente Vitos, B. Johansson, J. Kollár, Hans Lomholt Skriver

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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
JournalPhysical Review B Condensed Matter
Volume62
Issue number15
Pages (from-to)10046-10050
ISSN0163-1829
DOIs
Publication statusPublished - 2000

Bibliographical note

Copyright (2000) American Physical Society

Keywords

  • SEMICONDUCTORS
  • ACCURATE
  • GENERALIZED GRADIENT APPROXIMATION
  • CHARGE-DENSITY
  • SURFACES
  • ALL-ELECTRON
  • DENSITY-FUNCTIONAL-THEORY

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