A quadrature formula for correlation integrals

被引：0

作者：

Dai, ST ^{[1
]}

Winkler, P ^{[1
]}

机构：

[1] UNIV NEVADA,DEPT PHYS 220,RENO,NV 89557

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1997年 / 65卷 / 05期

关键词：

D O I：

暂无

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A convenient Gauss-Laguerre quadrature formula is presented for integrands which depend on the radial coordinates r(1) and r(2) of two bodies as well as on their relative distance r(12). This formula generalizes the analytic method by Calais and Lowdin [J. Mol. Spectrosc. 8,203 (1962)] to cases when the analytical evaluation is not possible and defaults to an exact method when it is. (C) 1997 John Wiley & Sons, Inc.

引用

页码：513 / 518

页数：6

共 13 条

[1]

Abramowitz M, 1968, HDB MATH FUNCTIONS

[2] SIMPLE METHOD OF TREATING ATOMIC INTEGRALS CONTAINING FUNCTIONS OF R12 [J].