Exchange energy in the local Airy gas approximation

L. Vitos, B. Johansson, J. Kollár, and H. L. Skriver
Phys. Rev. B 62, 10046 – Published 15 October 2000
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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.

  • Received 14 April 2000

DOI:https://doi.org/10.1103/PhysRevB.62.10046

©2000 American Physical Society

Authors & Affiliations

L. Vitos and B. Johansson

  • Condensed Matter Theory Group, Physics Department, Uppsala University, S-75121 Uppsala, Sweden

J. Kollár

  • Research Institute for Solid State Physics, H-1525 Budapest, P.O. Box 49, Hungary

H. L. Skriver

  • Center for Atomic-scale Materials Physics and Department of Physics, Technical University of Denmark, DK-2800 Lyngby, Denmark

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Vol. 62, Iss. 15 — 15 October 2000

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