STRATEGIES TO VECTORIZE CONVENTIONAL SCF-CL ALGORITHMS

被引:126
作者
KOSUGI, N
机构
来源
THEORETICA CHIMICA ACTA | 1987年 / 72卷 / 02期
关键词
D O I
10.1007/BF00528137
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
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页码:149 / 173
页数:25
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共 47 条
[1]   METHODS FOR EFFICIENT EVALUATION OF INTEGRALS FOR GAUSSIAN TYPE BASIS SETS [J].
AHLRICHS, R .
THEORETICA CHIMICA ACTA, 1974, 33 (02) :157-167
[2]   IMPLEMENTATION OF AN ELECTRONIC-STRUCTURE PROGRAM SYSTEM ON THE CYBER 205 [J].
AHLRICHS, R ;
BOHM, HJ ;
EHRHARDT, C ;
SCHARF, P ;
SCHIFFER, H ;
LISCHKA, H ;
SCHINDLER, M .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1985, 6 (03) :200-208
[3]   PRINCIPLES FOR A DIRECT SCF APPROACH TO LCAO-MO ABINITIO CALCULATIONS [J].
ALMLOF, J ;
FAEGRI, K ;
KORSELL, K .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1982, 3 (03) :385-399
[4]  
ALMLOF J, 1984, NATO ASI SER C, V133, P107
[5]  
BAGUS PS, 1976, COMPUT CHEM, V1, P95
[6]  
BAIR RA, 1986, J COMPUT CHEM, V7
[7]   CONSTRUCTION OF THE 2-ELECTRON INTERACTION MATRIX FROM A P-SUPERMATRIX FILE - AN IMPROVED ALGORITHM [J].
BENARD, M ;
SPECKEL, B .
COMPUTERS & CHEMISTRY, 1982, 6 (03) :137-138
[9]  
BINKLEY JS, 1980, QCPE, V11, P406
[10]  
BURKE PG, 1982, COMPUT PHYS COMM, V26