SOME CONVERGENCE ASPECTS OF THE ONE-CENTER EXPANSION METHODS

Authors
BOUFERGUENE A FARES M
Citation
A. Bouferguene et M. Fares, SOME CONVERGENCE ASPECTS OF THE ONE-CENTER EXPANSION METHODS, International journal of quantum chemistry, 51(6), 1994, pp. 345-356
Citations number
53
Categorie Soggetti
Chemistry Physical
Journal title
International journal of quantum chemistry → ACNP
ISSN journal
00207608
Volume
51
Issue
6
Year of publication
1994
Pages
345 - 356
Database
ISI
SICI code
0020-7608(1994)51:6<345:SCAOTO>2.0.ZU;2-N
Abstract
Among the methods that may be used to carry out multicenter integrals over STOS, the one-center two-range expansion is probably the oldest o ne. However, the convergence of the leading series is generally slow a nd, hence, time-consuming. Therefore, it was the aim of the present wo rk to show that the so-called nonlinear sequence transformations may b e of substantial help for improving the rate of convergence of such se ries. (C) 1994 John Wiley & Sons, Inc.