4.6 Article

Exchange energy in the local Airy gas approximation

Journal

PHYSICAL REVIEW B
Volume 62, Issue 15, Pages 10046-10050

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.62.10046

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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.

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