SIMPLE ANALYTIC EXPRESSION FOR GENERAL 2-CENTER COULOMB INTEGRALS

被引：17

作者：

FLANNERY, MR

LEVY, H

机构：

[1] Smithsonian Institution, Astrophysical Observatory, Cambridge

来源：

JOURNAL OF CHEMICAL PHYSICS | 1969年 / 50卷 / 07期

关键词：

D O I：

10.1063/1.1671488

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：

A straightforward derviation of a general analytic expression for two-center Coulomb integrals is presented. The expression displays a simple analytic dependence on the nuclear separation.

引用

页码：2938 / &

共 17 条

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BONHAM, RA
COX, HL
PEACHER, JL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (10) : 3083 - &
[3] FLANNERY MR, TO BE PUBLISHED
[4] 2-ELECTRON, 1- AND 2-CENTER INTEGRALS
GELLER, M
[J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (03) : 853 - &
[5] 2-CENTER COULOMB INTEGRALS
GELLER, M
[J]. JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (12) : 4006 - &
[6] 2-CENTER INTEGRALS OVER SOLID SPHERICAL HARMONICS
GELLER, M
[J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (01) : 84 - &
[7] ZERO-FIELD SPLITTING 1- + 2-CENTER COULOMB-TYPE INTEGRALS
GELLER, M
GRIFFITH, RW
[J]. JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (08) : 2309 - &
[8] MOLECULAR ORBITAL STUDIES OF DIATOMIC MOLECULES .1. METHOD OF COMPUTATION FOR SINGLE CONFIGURATIONS OF HETERONUCLEAR SYSTEMS
HARRIS, FE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1960, 32 (01) : 3 - 18
[9] Harris FE, 1967, ADV CHEM PHYS, V13, P205
[10] OOHATA K, 1966, J MATH PHYS, V7, P547

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