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Exchange energy in the local Airy gas approximation
2000 (English)In: Physical Review B Condensed Matter, ISSN 0163-1829, E-ISSN 1095-3795, Vol. 62, no 15, 10046-10050 p.Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
2000. Vol. 62, no 15, 10046-10050 p.
Keyword [en]
generalized gradient approximation, density-functional-theory, charge-density, all-electron, semiconductors, surfaces, accurate
URN: urn:nbn:se:kth:diva-20114ISI: 000089977100042OAI: diva2:338807
QC 20100525Available from: 2010-08-10 Created: 2010-08-10Bibliographically approved

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Vitos, LeventeJohansson, Börje
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