Local exchange-correlation energy density functional for monotonically decaying spherical densities

Authors
Savin, A Colonna, F
Citation
A. Savin et F. Colonna, Local exchange-correlation energy density functional for monotonically decaying spherical densities, J MOL ST-TH, 501, 2000, pp. 39-46
Citations number
14
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
ISSN journal
01661280 → ACNP
Volume
501
Year of publication
2000
Pages
39 - 46
Database
ISI
SICI code
0166-1280(20000428)501:<39:LEEDFF>2.0.ZU;2-N
Abstract
Local exchange-correlation functionals are defined for different systems wi th spherical symmetry, by requiring that they reproduce the correct exchang e-correlation energy and exchange-correlation potential (up to a constant). For comparison, the results with the uniform electron gas local density ap proximation and a generalized gradient approximation-are also shown. (C) 20 00 Elsevier Science B.V. All rights reserved.