COMBINING LONG-RANGE CONFIGURATION-INTERACTION WITH SHORT-RANGE DENSITY FUNCTIONALS

Authors
LEININGER T STOLL H WERNER HJ SAVIN A
Citation
T. Leininger et al., COMBINING LONG-RANGE CONFIGURATION-INTERACTION WITH SHORT-RANGE DENSITY FUNCTIONALS, Chemical physics letters, 275(3-4), 1997, pp. 151-160
Citations number
26
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
275
Issue
3-4
Year of publication
1997
Pages
151 - 160
Database
ISI
SICI code
0009-2614(1997)275:3-4<151:CLCWSD>2.0.ZU;2-D
Abstract
A density functional for short-range electron-electron interaction rec ently developed by one of us, has been implemented into a multi-refere nce configuration-interaction code with explicit treatment of long-ran ge interaction only. Possible advantages of such an approach are discu ssed, using as examples some closed-shell atoms (Be, Ne) and diatomics (H-2, Li-2, C-2, N-2, F-2). (C) 1997 Published by Elsevier Science B. V.