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A quadrature formula for correlation integrals

✍ Scribed by Song-Tao Dai; Peter Winkler

Publisher: John Wiley and Sons
Year: 1997
Tongue: English
Weight: 140 KB
Volume: 65
Category: Article
ISSN: 0020-7608
DOI: 10.1002/(sici)1097-461x(1997)65:5<513::aid-qua16>3.0.co;2-3

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✦ Synopsis

A convenient Gauss᎐Laguerre quadrature formula is presented for integrands which depend on the radial coordinates r and r of two bodies as well as on 1 2

their relative distance r . This formula generalizes the analytic method by Calais and 12 w Ž .x Lowdin J. Mol. Spectrosc. 8, 203 1962 to cases when the analytical evaluation is not p ossible and defaults to an exact method when it is.

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