SLATER ORBITAL MOLECULAR INTEGRALS WITH NUMERICAL FOURIER-TRANSFORM METHODS .1. (COPLANAR) MULTICENTER EXCHANGE INTEGRALS OVER IS ORBITALS

被引：12

作者：

GRAOVAC, A ^{[1
]}

MONKHORST, HJ ^{[1
]}

ZIVKOVIC, T ^{[1
]}

机构：

[1] INST RUDJER BOSKOVIC, Zagreb, YUGOSLAVIA

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1973年 / 7卷 / 02期

关键词：

D O I：

10.1002/qua.560070209

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：

引用

页码：233 / 251

页数：19

共 23 条

[1]

ABRAMOWITZ M, 1964, HDB MATHEMATICAL FUN

[2]

ALPER JS, 1971, J CHEM PHYS, V55, P3780, DOI 10.1063/1.1676662

[3] ANALYTICAL EVALUATION OF MULTICENTER MOLECULAR INTEGRALS .1. 2-CENTER OVERLAP AND 2-CENTER COULOMBIC INTEGRALS OVER HYDROGENIC ORBITALS OF INTEGRAL PRINCIPAL QUANTUM NUMBER [J].

ALPER, JS .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (08) :3770-&

[4]

BARNETT MP, 1963, METHODS COMPUTATIONA

[5] ON CALCULATION OF MULTICENTER 2-ELECTRON REPULSION INTEGRALS INVOLVING SLATER FUNCTIONS [J].

BONHAM, RA ;

COX, HL ;

PEACHER, JL .

JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (10) :3083-&

[6]

EDEN RJ, 1962, BRANDEIS SUMMER I 19

[7]

GUIDOTTI C, 1966, RIC SCI, V36, P25

[8]

Harris FE, 1967, ADV CHEM PHYS, V13, P205

[9] ANALYTICAL EVALUATION OF MULTICENTER INTEGRALS OF TAU12-1 WITH SLATER-TYPE ATOMIC ORBITALS .4. 4-CENTER INTEGRALS BY TAYLOR SERIES METHOD [J].

KAY, KG ;

SILVERSTONE, HJ .

JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (03) :956-+

[10] ANALYTICAL EVALUATION OF MULTICENTER INTEGRALS OF R12-1 WITH SLATER-TYPE ATOMIC ORBITALS .6. ASYMPTOTIC EXPANSIONS FOR LARGE INTERNUCLEAR DISTANCES [J].

KAY, KG ;

SILVERSTONE, HJ .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (11) :4269-+

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