ON THE USE OF EXPLICITLY CORRELATED FUNCTIONS IN VARIATIONAL COMPUTATIONS FOR SMALL MOLECULES

Authors
RYCHLEWSKI J
Citation
J. Rychlewski, ON THE USE OF EXPLICITLY CORRELATED FUNCTIONS IN VARIATIONAL COMPUTATIONS FOR SMALL MOLECULES, International journal of quantum chemistry, 49(4), 1994, pp. 477-494
Citations number
100
Categorie Soggetti
Chemistry Physical
Journal title
International journal of quantum chemistry → ACNP
ISSN journal
00207608
Volume
49
Issue
4
Year of publication
1994
Pages
477 - 494
Database
ISI
SICI code
0020-7608(1994)49:4<477:OTUOEC>2.0.ZU;2-T
Abstract
The explicitly correlated wave functions used in variational molecular calculations are reviewed. Different types of such functions are cons idered. The state of art and future perspectives are briefly discussed . (C) 1994 John Wiley and Sons, Inc.