The exchange energy in the local Airy gas approximation
Materials Science
2009-10-31 v2
Abstract
The Airy gas model of the edge electron gas is used to construct an exchange-energy functional which 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.
Keywords
Cite
@article{arxiv.cond-mat/0005292,
title = {The exchange energy in the local Airy gas approximation},
author = {L. Vitos and B. Johansson and J. Kollár and H. L. Skriver},
journal= {arXiv preprint arXiv:cond-mat/0005292},
year = {2009}
}
Comments
10 pages, 4 figures, submitted to Phys. Rev. B