Many-site expansion for correcting approximate density functionals

Authors
Horsfield, AP Fujitani, H
Citation
Ap. Horsfield et H. Fujitani, Many-site expansion for correcting approximate density functionals, PHYS REV B, 61(19), 2000, pp. 12560-12561
Citations number
4
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B
ISSN journal
01631829 → ACNP
Volume
61
Issue
19
Year of publication
2000
Pages
12560 - 12561
Database
ISI
SICI code
0163-1829(20000515)61:19<12560:MEFCAD>2.0.ZU;2-E
Abstract
A simple scheme for correcting approximate density functionals is introduce d. It is based on two approximations: a truncated many-site expansion, and a linearization with respect to density. The method has been tested using g radient corrections for the exchange energy and the density from the hydrog en atom. The results are very encouraging, and indicate that the method war rants further investigation using more accurate results from many-body calc ulations.