COMPUTATION OF ELECTRON REPULSION INTEGRALS INVOLVING CONTRACTED GAUSSIAN BASIS FUNCTIONS

被引:169
作者
POPLE, JA [1 ]
HEHRE, WJ [1 ]
机构
[1] UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92664
关键词
D O I
10.1016/0021-9991(78)90001-3
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
引用
收藏
页码:161 / 168
页数:8
相关论文
共 3 条
[1]   ELECTRONIC WAVE FUNCTIONS .1. A GENERAL METHOD OF CALCULATION FOR THE STATIONARY STATES OF ANY MOLECULAR SYSTEM [J].
BOYS, SF .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1950, 200 (1063) :542-554
[2]  
HARIHARAN PC, 1973, THESIS CARNEGIE MELL
[3]  
SHAVITT I, 1963, METHODS COMPUTATIONA, V2, P1