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
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.
generalized gradient approximation, density-functional-theory, charge-density, all-electron, semiconductors, surfaces, accurate
IdentifiersURN: urn:nbn:se:kth:diva-20114ISI: 000089977100042OAI: oai:DiVA.org:kth-20114DiVA: diva2:338807
QC 201005252010-08-102010-08-10Bibliographically approved