Calculation of Two-center Nuclear Attraction Integrals over Slater Type Orbitals in Molecular Coordinate System

被引：0

作者：

MAMEDOV

B.A.

机构：

[1] Department of Physics

[2] Faculty of Arts and Sciences

[3] Gaziosmanpasa University

[4] Tokat

[5] Turkey

来源：

Chinese Journal of Chemistry | 2004年 / 06期

关键词：

Slater type orbitals; nuclear attraction integrals; overlap integrals; molecular integrals;

D O I：

暂无

中图分类号：

O641 [结构化学];

学科分类号：

070304 ; 081704 ;

摘要：

A closed analytical relation is derived for the two-center nuclear attraction integrals over Slater type orbitals (STOs) in terms of binomial coefficients. This formula can be used in highly accurate calculations of the nuclear at-traction integrals. The relationships obtained are valid for arbitrary values of quantum numbers and screening con-stants of STOs and location of nuclei.

引用

页码：545 / 548 +501

页数：5

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