Analytical evaluation of three-center nuclear-attraction integrals over s-Slater orbitals for asymmetrical conformations of the centers

被引：0

作者：

Katrin Peuker

María Belén Ruiz

机构：

[1] University Erlangen-Nürnberg,Department of Theoretical Chemistry of the Friedrich

来源：

Journal of Mathematical Chemistry | 2008年 / 43卷

关键词：

nuclear-attraction integrals; Slater orbitals; different exponents;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

Analytical formulas for three-center nuclear-attraction integrals over Slater orbitals are given for any location of the three atomic centers. In the mathematical derivations the Neumann expansion has been used and new general auxiliary integrals which depend on the elliptical coordinates of one of the centers are defined. The orbital exponents within the integrals may be different.

引用

页码：701 / 712

页数：11

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