UNIFIED TREATMENT OF 2-CENTER COULOMB, HYBRID, AND EXCHANGE INTEGRALS OVER SLATER-TYPE ORBITALS

被引：5

作者：

GUSEINOV, II

YASSEN, RF

机构：

[1] MANSOURA UNIV,FAC SCI,DEPT MATH,DUMYAT,EGYPT

[2] BAKU STATE UNIV,FAC PHYS,BAKU,AZERBAIJAN

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1995年 / 54卷 / 04期

关键词：

D O I：

10.1002/qua.560540402

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Using Neumann expansion for 1/r(12) in elliptical coordinates a combined formula has been obtained for two-center Coulomb, hybrid, and exchange integrals with Slater-type orbitals. (C) 1995 John Wiley & Sons, Inc.

引用

页码：197 / 199

页数：3

共 7 条

[1]

Cade P. E., 1973, Atomic Data and Nuclear Data Tables, V12, P415, DOI 10.1016/0092-640X(73)90002-8

[2] ANALYTICAL EVALUATION OF MULTICENTER INTEGRALS FOR SLATERTYPE ORBITALS .2. 3-CENTER NUCLEAR ATTRACTION INTEGRALS [J].

GUSEINOV, II .

JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (11) :4718-4721

[3] ANALYTICAL EVALUATION OF 2-CENTRE COULOMB, HYBRID AND ONE-ELECTRON INTEGRALS FOR SLATER-TYPE ORBITALS [J].

GUSEINOV, II .

JOURNAL OF PHYSICS PART B ATOMIC AND MOLECULAR PHYSICS, 1970, 3 (11) :1399-&

[4]

GUSEINOV II, 1976, J CHEM PHYS, V65, P4722, DOI 10.1063/1.432924

[5]

GUSEINOV II, 1982, 1ST P INT C ETO MULT, P171

[6]

HURLEY AC, 1960, REV MOD PHYS, V32, P408

[7] STUDIES IN MOLECULAR STRUCTURE .1. SCOPE AND SUMMARY OF THE DIATOMIC MOLECULE PROGRAM [J].

RANSIL, BJ .

REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :239-244

← 1 →