ON THE POSSIBILITY OF IMPROVING THE INTEGRAL EVALUATION SECTION IN ABINITIO HARTREE-FOCK CALCULATIONS ON LARGE MOLECULES

被引:7
作者
KARLSTROM, G
机构
关键词
D O I
10.1002/jcc.540020114
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:83 / 86
页数:4
相关论文
共 5 条
[1]  
ALMLOF J, 1978, COMPUT CHEM, V2, P89, DOI 10.1016/0097-8485(78)87007-7
[2]  
ALMLOF J, USIP7429 U STOCKH RE
[3]  
ALMLOF J, USIP7733 U STOCKH RE
[4]   EVALUATION OF MOLECULAR INTEGRALS OVER GAUSSIAN BASIS FUNCTIONS [J].
DUPUIS, M ;
RYS, J ;
KING, HF .
JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (01) :111-116
[5]  
HEHRE WJ, QUANTUM CHEM PROGRAM