A QUADRATURE FORMULA FOR CORRELATION INTEGRALS

Authors
DAI ST WINKLER P
Citation
St. Dai et P. Winkler, A QUADRATURE FORMULA FOR CORRELATION INTEGRALS, International journal of quantum chemistry, 65(5), 1997, pp. 513-518
Citations number
13
Categorie Soggetti
Chemistry Physical
Journal title
International journal of quantum chemistry → ACNP
ISSN journal
00207608
Volume
65
Issue
5
Year of publication
1997
Pages
513 - 518
Database
ISI
SICI code
0020-7608(1997)65:5<513:AQFFCI>2.0.ZU;2-D
Abstract
A convenient Gauss-Laguerre quadrature formula is presented for integr ands which depend on the radial coordinates r(1) and r(2) of two bodie s as well as on their relative distance r(12). This formula generalize s the analytic method by Calais and Lowdin [J. Mol. Spectrosc. 8,203 ( 1962)] to cases when the analytical evaluation is not possible and def aults to an exact method when it is. (C) 1997 John Wiley & Sons, Inc.