The exchange energy in the local Airy gas approximation

Details The exchange energy in the local Airy gas approximation The exchange energy in the local Airy gas approximation

2000-05-18

arxiv.org/abs/cond-mat/0005292v2

Physics

Condensed Matter

Materials Science

10 pages, 4 figures, submitted to Phys. Rev. B

Scientific paper

10.1103/PhysRevB.62.10046

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.

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