Calculation of arbitrary overlap integrals over type orbitals using basic overlap integrals

被引：15

作者：

Guseinov, II ^{[1
]}

Mamedov, BA

Orbay, M

Özdogan, T

机构：

[1] Onsekiz Mart Univ, Fac Arts & Sci, Dept Phys, Canakkale, Turkey

[2] Ondokuz Mayis Univ, Fac Educ, Dept Phys, Amasya, Turkey

来源：

COMMUNICATIONS IN THEORETICAL PHYSICS | 2000年 / 33卷 / 02期

关键词：

overlap integrals; Slater-type orbitals;

D O I：

10.1088/0253-6102/33/2/161

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The recurrence relations are presented for the calculation of basic overlap integrals, by making use of which other overlap integrals are calculated analytically. These recurrence relations are especially useful for the calculation of any overlap integral for large quantum numbers. For the arbitrary values of screening constants of atomic orbitals and internuclear distances an accuracy of the computer results is satisfactory for the values of principal quantum numbers of Slater functions up to 50.

引用

页码：161 / 166

页数：6

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