PROGRAM FOR GENERATING DIRECTED HYBRID ATOMIC ORBITALS TO FACILITATE FOCK MATRIX TRANSFERENCE IN SAMO-TYPE PROCEDURES

被引:3
作者
BALINT, I
BAN, MI
机构
来源
COMPUTERS & CHEMISTRY | 1983年 / 7卷 / 04期
关键词
D O I
10.1016/0097-8485(83)85012-8
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:199 / 202
页数:4
相关论文
共 12 条
[1]   AUXILIARY PROGRAMS FOR OPERATING WITH LARGE MATRICES .2. RANDOM DATA-PROCESSING [J].
BALINT, I ;
BAN, MI .
COMPUTERS & CHEMISTRY, 1983, 7 (01) :41-44
[2]   AUXILIARY PROGRAMS FOR OPERATING WITH LARGE MATRICES .1. DATA-PROCESSING IN SEQUENTIAL ORDER [J].
BALINT, I ;
BAN, MI .
COMPUTERS & CHEMISTRY, 1983, 7 (01) :37-40
[3]  
BAN MI, 1979, ACTA PHYS CHEM, V25, P113
[4]   OPTIMALLY CONDITIONED OPTIMIZATION ALGORITHMS WITHOUT LINE SEARCHES [J].
DAVIDON, WC .
MATHEMATICAL PROGRAMMING, 1975, 9 (01) :1-30
[5]   SIMULATED AB-INITIO MOLECULAR-ORBITAL TECHNIQUE .1. METHOD [J].
EILERS, JE ;
WHITMAN, DR .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (07) :2067-2073
[6]  
Gillespie R. J., 1972, MOL GEOMETRY
[7]   MAXIMUM BOND ORDER PRINCIPLE [J].
JUG, K .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (24) :7800-7805
[8]   GENERALIZED HYBRID ORBITALS [J].
KIRKWOOD, EF ;
COOK, DB .
THEORETICA CHIMICA ACTA, 1977, 44 (02) :139-149
[9]   ORBITAL HYBRIDIZATION [J].
KIRTMAN, B ;
CHIPMAN, DM ;
PALKE, WE .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (05) :1305-1307
[10]  
LOVAS S, 1983, ACTA CHIM HUNG, V113, P309