MODIFIED EXCHANGE POTENTIAL FOR LOCAL-DENSITY CALCULATIONS OF ATOMS

Authors
LIBERMAN DA
Citation
Da. Liberman, MODIFIED EXCHANGE POTENTIAL FOR LOCAL-DENSITY CALCULATIONS OF ATOMS, Journal of physics. B, Atomic molecular and optical physics, 31(12), 1998, pp. 2681-2688
Citations number
28
Categorie Soggetti
Physics, Atomic, Molecular & Chemical",Optics
Journal title
Journal of physics. B, Atomic molecular and optical physics → ACNP
ISSN journal
09534075
Volume
31
Issue
12
Year of publication
1998
Pages
2681 - 2688
Database
ISI
SICI code
0953-4075(1998)31:12<2681:MEPFLC>2.0.ZU;2-B
Abstract
The local density exchange potential which is used in most atomic calc ulations is based on the degenerate electron gas. It is proposed that it should be augmented by a term that has the correct large radius beh aviour and which contains an adjustable parameter. The parameter is de termined by minimizing the total energy. Better calculations of severa l physical quantities are obtained.