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MOLECULAR SYMMETRY AND CLOSED-SHELL SCF CALCULATIONS .1.
被引:191
作者
:
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
DUPUIS, M
[
1
]
KING, HF
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
KING, HF
[
1
]
机构
:
[1]
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
来源
:
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
|
1977年
/ 11卷
/ 04期
关键词
:
D O I
:
10.1002/qua.560110408
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
:
引用
收藏
页码:613 / 625
页数:13
相关论文
共 9 条
[1]
FAST ASSEMBLY OF FOCK MATRICES UTILIZING SYMMETRY PROPERTIES OF BASIS SET
[J].
BRAILSFORD, DF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTTINGHAM, DEPT MATH, NOTTINGHAM NG7 2RD, ENGLAND
UNIV NOTTINGHAM, DEPT MATH, NOTTINGHAM NG7 2RD, ENGLAND
BRAILSFORD, DF
;
HYLTON, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTTINGHAM, DEPT MATH, NOTTINGHAM NG7 2RD, ENGLAND
UNIV NOTTINGHAM, DEPT MATH, NOTTINGHAM NG7 2RD, ENGLAND
HYLTON, J
.
CHEMICAL PHYSICS LETTERS,
1973,
18
(04)
:595
-597
[2]
On the use of symmetry in SCF calculations
[J].
Dacre, P. D.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Sheffield, Dept Chem, Sheffield S10 2TN, S Yorkshire, England
Univ Sheffield, Dept Chem, Sheffield S10 2TN, S Yorkshire, England
Dacre, P. D.
.
CHEMICAL PHYSICS LETTERS,
1970,
7
(01)
:47
-48
[3]
EVALUATION OF MOLECULAR INTEGRALS OVER GAUSSIAN BASIS FUNCTIONS
[J].
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
DUPUIS, M
;
RYS, J
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
RYS, J
;
KING, HF
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
KING, HF
.
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(01)
:111
-116
[4]
USE OF MOLECULAR SYMMETRY IN SCF CALCULATIONS
[J].
ELDER, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV SHEFFIELD,DEPT CHEM,SHEFFIELD S3 7HF,YORKSHIRE,ENGLAND
UNIV SHEFFIELD,DEPT CHEM,SHEFFIELD S3 7HF,YORKSHIRE,ENGLAND
ELDER, M
.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1973,
7
(01)
:75
-85
[5]
GOUTIER D, QCPE241 IND U PROGR
[6]
NUMERICAL-INTEGRATION USING RYS POLYNOMIALS
[J].
KING, HF
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
KING, HF
;
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
DUPUIS, M
.
JOURNAL OF COMPUTATIONAL PHYSICS,
1976,
21
(02)
:144
-165
[7]
CONTRIBUTION OF ATOMIC ORBITAL INTEGRALS TO SYMMETRY ORBITAL INTEGRALS
[J].
PITZER, RM
论文数:
0
引用数:
0
h-index:
0
机构:
OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
PITZER, RM
.
JOURNAL OF CHEMICAL PHYSICS,
1973,
58
(07)
:3111
-3112
[8]
NEW DEVELOPMENTS IN MOLECULAR ORBITAL THEORY
[J].
ROOTHAAN, CCJ
论文数:
0
引用数:
0
h-index:
0
ROOTHAAN, CCJ
.
REVIEWS OF MODERN PHYSICS,
1951,
23
(02)
:69
-89
[9]
ALGORITHM FOR USE OF SYMMETRY IN MOLECULAR SELF-CONSISTENT-FIELD CALCULATIONS
[J].
WINTER, NW
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, COLUMBUS, OH 43201 USA
WINTER, NW
;
ERMLER, WC
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, COLUMBUS, OH 43201 USA
ERMLER, WC
;
PITZER, RM
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, COLUMBUS, OH 43201 USA
PITZER, RM
.
CHEMICAL PHYSICS LETTERS,
1973,
19
(02)
:179
-182
←
1
→
共 9 条
[1]
FAST ASSEMBLY OF FOCK MATRICES UTILIZING SYMMETRY PROPERTIES OF BASIS SET
[J].
BRAILSFORD, DF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTTINGHAM, DEPT MATH, NOTTINGHAM NG7 2RD, ENGLAND
UNIV NOTTINGHAM, DEPT MATH, NOTTINGHAM NG7 2RD, ENGLAND
BRAILSFORD, DF
;
HYLTON, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTTINGHAM, DEPT MATH, NOTTINGHAM NG7 2RD, ENGLAND
UNIV NOTTINGHAM, DEPT MATH, NOTTINGHAM NG7 2RD, ENGLAND
HYLTON, J
.
CHEMICAL PHYSICS LETTERS,
1973,
18
(04)
:595
-597
[2]
On the use of symmetry in SCF calculations
[J].
Dacre, P. D.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Sheffield, Dept Chem, Sheffield S10 2TN, S Yorkshire, England
Univ Sheffield, Dept Chem, Sheffield S10 2TN, S Yorkshire, England
Dacre, P. D.
.
CHEMICAL PHYSICS LETTERS,
1970,
7
(01)
:47
-48
[3]
EVALUATION OF MOLECULAR INTEGRALS OVER GAUSSIAN BASIS FUNCTIONS
[J].
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
DUPUIS, M
;
RYS, J
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
RYS, J
;
KING, HF
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
KING, HF
.
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(01)
:111
-116
[4]
USE OF MOLECULAR SYMMETRY IN SCF CALCULATIONS
[J].
ELDER, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV SHEFFIELD,DEPT CHEM,SHEFFIELD S3 7HF,YORKSHIRE,ENGLAND
UNIV SHEFFIELD,DEPT CHEM,SHEFFIELD S3 7HF,YORKSHIRE,ENGLAND
ELDER, M
.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1973,
7
(01)
:75
-85
[5]
GOUTIER D, QCPE241 IND U PROGR
[6]
NUMERICAL-INTEGRATION USING RYS POLYNOMIALS
[J].
KING, HF
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
KING, HF
;
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
DUPUIS, M
.
JOURNAL OF COMPUTATIONAL PHYSICS,
1976,
21
(02)
:144
-165
[7]
CONTRIBUTION OF ATOMIC ORBITAL INTEGRALS TO SYMMETRY ORBITAL INTEGRALS
[J].
PITZER, RM
论文数:
0
引用数:
0
h-index:
0
机构:
OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
PITZER, RM
.
JOURNAL OF CHEMICAL PHYSICS,
1973,
58
(07)
:3111
-3112
[8]
NEW DEVELOPMENTS IN MOLECULAR ORBITAL THEORY
[J].
ROOTHAAN, CCJ
论文数:
0
引用数:
0
h-index:
0
ROOTHAAN, CCJ
.
REVIEWS OF MODERN PHYSICS,
1951,
23
(02)
:69
-89
[9]
ALGORITHM FOR USE OF SYMMETRY IN MOLECULAR SELF-CONSISTENT-FIELD CALCULATIONS
[J].
WINTER, NW
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, COLUMBUS, OH 43201 USA
WINTER, NW
;
ERMLER, WC
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, COLUMBUS, OH 43201 USA
ERMLER, WC
;
PITZER, RM
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, COLUMBUS, OH 43201 USA
PITZER, RM
.
CHEMICAL PHYSICS LETTERS,
1973,
19
(02)
:179
-182
←
1
→