FURTHER TESTS OF A SCALED LOCAL EXCHANGE-CORRELATION FUNCTIONAL

Citation
Qs. Zhao et Lj. Bartolotti, FURTHER TESTS OF A SCALED LOCAL EXCHANGE-CORRELATION FUNCTIONAL, Physical review. A, 48(5), 1993, pp. 3983-3986
Citations number
18
Categorie Soggetti
Physics
Journal title
ISSN journal
10502947
Volume
48
Issue
5
Year of publication
1993
Pages
3983 - 3986
Database
ISI
SICI code
1050-2947(1993)48:5<3983:FTOASL>2.0.ZU;2-L
Abstract
The local Wigner exchange-correlation functional and its scaled analog are tested by self-consistent calculations on H-2 and N2 determining energy curves and atomic polarizabilities. The kinetic-energy contribu tion, which results from coordinate scaling of the exchange-Correlatio n potential energy, is shown to be important in the density-functional theory.