Exchange energy in the local Airy gas approximation

Authors
Vitos, L Johansson, B Kollar, J Skriver, HL
Citation
L. Vitos et al., Exchange energy in the local Airy gas approximation, PHYS REV B, 62(15), 2000, pp. 10046-10050
Citations number
38
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B
ISSN journal
01631829 → ACNP
Volume
62
Issue
15
Year of publication
2000
Pages
10046 - 10050
Database
ISI
SICI code
0163-1829(20001015)62:15<10046:EEITLA>2.0.ZU;2-H
Abstract
The Airy gas model of the edge electron gas is used to construct an exchang e-energy functional that is an alternative to those obtained in the local-d ensity and generalized-gradient approximations. Test calculations for rare- gas atoms, molecules, solids, and surfaces show that the Airy gas functiona l performs better than the local-density approximation in all cases and bet ter than the generalized-gradient approximation for solids and surfaces.