Authors
Citation
Pmw. Gill et al., COULOMB-ATTENUATED EXCHANGE ENERGY DENSITY FUNCTIONALS, Molecular physics, 88(4), 1996, pp. 1005-1009
Citations number
16
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00268976
Volume
88
Issue
4
Year of publication
1996
Pages
1005 - 1009
Database
ISI
SICI code
0026-8976(1996)88:4<1005:CEEDF>2.0.ZU;2-M
Abstract
Exact and local spin density approximation (LSDA) exchange energy dens
ity functionals in the Coulomb-attenuated Schrodinger equation (CASE)
approximation are constructed. When expressed as asymptotic series in
the attenuation parameter omega, their leading terms are identical. If
a Gaussian basis set is used, the terms in the exact series (but not
the LSDA series) can be evaluated analytically, i.e. without resorting
to quadrature on a grid.