VECTORIZING A SEQUENCE OF CONDITIONAL BRANCHES - THE CALCULATION OF THE CLASS INDEX OF 2-ELECTRON REPULSION INTEGRALS ON CRAY COMPUTERS

被引：3

作者：

ERNENWEIN, R ^{[1
]}

BENARD, M ^{[1
]}

SHAVITT, I ^{[1
]}

机构：

[1] OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210

来源：

COMPUTER PHYSICS COMMUNICATIONS | 1988年 / 48卷 / 02期

关键词：

D O I：

10.1016/0010-4655(88)90038-0

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

22

引用

收藏

页码：175 / 180

页数：6

相关论文

共 23 条

[1] PRINCIPLES FOR A DIRECT SCF APPROACH TO LCAO-MO ABINITIO CALCULATIONS
ALMLOF, J
FAEGRI, K
KORSELL, K
[J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1982, 3 (03) : 385 - 399
[2] ALMLOF J, 1984, NATO ASI SER C, V133, P107
[3] FAST ASSEMBLY OF FOCK MATRICES UTILIZING SYMMETRY PROPERTIES OF BASIS SET
BRAILSFORD, DF
HYLTON, J
[J]. CHEMICAL PHYSICS LETTERS, 1973, 18 (04) : 595 - 597
[4] On the use of symmetry in SCF calculations
Dacre, P. D.
[J]. CHEMICAL PHYSICS LETTERS, 1970, 7 (01) : 47 - 48
[5] ALTERNATIVE PROCEDURE FOR SETTING UP FOCK MATRICES FROM RANDOMLY ORDERED LISTS OF ELECTRON INTERACTION INTEGRALS
DUKE, AJ
[J]. CHEMICAL PHYSICS LETTERS, 1972, 13 (01) : 76 - &
[6] MOLECULAR SYMMETRY AND CLOSED-SHELL SCF CALCULATIONS .1.
DUPUIS, M
KING, HF
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1977, 11 (04) : 613 - 625
[7] EVALUATION OF MOLECULAR INTEGRALS OVER GAUSSIAN BASIS FUNCTIONS
DUPUIS, M
RYS, J
KING, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (01) : 111 - 116
[8] USE OF MOLECULAR SYMMETRY IN SCF CALCULATIONS
ELDER, M
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1973, 7 (01) : 75 - 85
[9] ERNENWEIN R, IN PRESS MOL INTEGRA
[10] GUEST MF, 1981, ACS SYM SER, V173, P1