Use of lined-up auxiliary functions in the evaluation of overlap integrals over integer and non-integer n Slater type orbitals

被引：0

作者：

Guseinov, Israfil I. ^{[1
]}

Andic, Zekayi ^{[1
]}

Mamedov, Bahtiyar A. ^{[2
]}

Gorgun, Nursen Seckin ^{[3
]}

机构：

[1] Onsekiz Mart Univ, Dept Phys, Fac Arts & Sci, TR-17100 Canakkale, Turkey

[2] Gaziosmanpasa Univ, Dept Phys, Fac Arts & Sci, TR-60250 Tokat, Turkey

[3] Trakya Univ, Dept Phys, Fac Sci, TR-22030 Edirne, Turkey

来源：

RESULTS IN PHYSICS | 2019年 / 12卷

关键词：

Slater type orbitals; Overlap integrals; Auxiliary functions; MULTIELECTRON MOLECULAR INTEGRALS; MULTICENTER INTEGRALS; QUANTUM-MECHANICS; B-N; EXPANSION; 2-CENTER; COULOMB;

D O I：

10.1016/j.rinp.2018.11.047

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A combined theory for the overlap integrals of integer and non-integer n chi-Slater type orbitals (chi-ISTO and chi-NISTO) is presented. This approach is based on the use of lined-up auxiliary functions introduced by one of the authors. The suggested theory guarantees a highly accurate calculation of the overlap integrals for the arbitrary values of quantum numbers and locations of orbitals.

引用

页码：298 / 301

页数：4

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