MULTICENTER AND MULTIPARTICLE INTEGRALS FOR EXPLICITLY CORRELATED CARTESIAN GAUSSIAN-TYPE FUNCTIONS

被引：22

作者：

KOZLOWSKI, PM

ADAMOWICZ, L

机构：

[1] Department of Chemistry, University of Arizona, Tucson, Arizona

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 1992年 / 13卷 / 05期

关键词：

D O I：

10.1002/jcc.540130510

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

An analytical derivation of multicenter and multiparticle integrals for explicitly correlated Cartesian Gaussian-type cluster functions is demonstrated. The evaluation method is based on the application of raising operators that transform spherical cluster Gaussian functions into Cartesian Gaussian functions.

引用

收藏

页码：602 / 613

页数：12

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