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ANALYTICAL DIFFERENTIATION OF THE ENERGY CONTRIBUTION DUE TO TRIPLE EXCITATIONS IN 4TH-ORDER MOLLER-PLESSET PERTURBATION-THEORY
被引:50
作者
:
GAUSS, J
论文数:
0
引用数:
0
h-index:
0
GAUSS, J
CREMER, D
论文数:
0
引用数:
0
h-index:
0
CREMER, D
机构
:
来源
:
CHEMICAL PHYSICS LETTERS
|
1988年
/ 153卷
/ 04期
关键词
:
D O I
:
10.1016/0009-2614(88)80145-3
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:303 / 308
页数:6
相关论文
共 29 条
[1]
BARTLETT RJ, 1983, CHEM PHYS LETT, V98, P66, DOI 10.1016/0009-2614(83)80204-8
[2]
BINKLEY JS, 1985, GAUSSIAN 82
[3]
ANALYTIC GRADIENTS FROM CORRELATED WAVE-FUNCTIONS VIA THE 2-PARTICLE DENSITY-MATRIX AND THE UNITARY GROUP-APPROACH
BROOKS, BR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
BROOKS, BR
LAIDIG, WD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
LAIDIG, WD
SAXE, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
SAXE, P
GODDARD, JD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
GODDARD, JD
YAMAGUCHI, Y
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
YAMAGUCHI, Y
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
SCHAEFER, HF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(08)
: 4652
-
4653
[4]
ANALYTIC ENERGY GRADIENTS FOR GENERAL COUPLED-CLUSTER METHODS AND 4TH-ORDER MANY-BODY PERTURBATION-THEORY
FITZGERALD, G
论文数:
0
引用数:
0
h-index:
0
FITZGERALD, G
HARRISON, RJ
论文数:
0
引用数:
0
h-index:
0
HARRISON, RJ
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
BARTLETT, RJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1986,
85
(09)
: 5143
-
5150
[5]
ANALYTICAL GRADIENT EVALUATION IN COUPLED-CLUSTER THEORY
FITZGERALD, G
论文数:
0
引用数:
0
h-index:
0
FITZGERALD, G
HARRISON, R
论文数:
0
引用数:
0
h-index:
0
HARRISON, R
LAIDIG, WD
论文数:
0
引用数:
0
h-index:
0
LAIDIG, WD
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
BARTLETT, RJ
[J].
CHEMICAL PHYSICS LETTERS,
1985,
117
(05)
: 433
-
436
[6]
FITZGERALD G, 1985, J CHEM PHYS, V82, P4375
[7]
A SYSTEMATIC STUDY OF THE EFFECT OF TRIPLE SUBSTITUTIONS ON THE ELECTRON CORRELATION-ENERGY OF SMALL MOLECULES
FRISCH, MJ
论文数:
0
引用数:
0
h-index:
0
FRISCH, MJ
KRISHNAN, R
论文数:
0
引用数:
0
h-index:
0
KRISHNAN, R
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
CHEMICAL PHYSICS LETTERS,
1980,
75
(01)
: 66
-
68
[8]
ANALYTICAL EVALUATION OF ENERGY GRADIENTS IN QUADRATIC CONFIGURATION-INTERACTION THEORY
GAUSS, J
论文数:
0
引用数:
0
h-index:
0
GAUSS, J
CREMER, D
论文数:
0
引用数:
0
h-index:
0
CREMER, D
[J].
CHEMICAL PHYSICS LETTERS,
1988,
150
(3-4)
: 280
-
286
[9]
IMPLEMENTATION OF ANALYTICAL ENERGY GRADIENTS AT 3RD-ORDER AND 4TH-ORDER MOLLER-PLESSET PERTURBATION-THEORY
GAUSS, J
论文数:
0
引用数:
0
h-index:
0
GAUSS, J
CREMER, D
论文数:
0
引用数:
0
h-index:
0
CREMER, D
[J].
CHEMICAL PHYSICS LETTERS,
1987,
138
(2-3)
: 131
-
140
[10]
GAUSS J, 1988, COLOGNE
←
1
2
3
→
共 29 条
[1]
BARTLETT RJ, 1983, CHEM PHYS LETT, V98, P66, DOI 10.1016/0009-2614(83)80204-8
[2]
BINKLEY JS, 1985, GAUSSIAN 82
[3]
ANALYTIC GRADIENTS FROM CORRELATED WAVE-FUNCTIONS VIA THE 2-PARTICLE DENSITY-MATRIX AND THE UNITARY GROUP-APPROACH
BROOKS, BR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
BROOKS, BR
LAIDIG, WD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
LAIDIG, WD
SAXE, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
SAXE, P
GODDARD, JD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
GODDARD, JD
YAMAGUCHI, Y
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
YAMAGUCHI, Y
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
SCHAEFER, HF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(08)
: 4652
-
4653
[4]
ANALYTIC ENERGY GRADIENTS FOR GENERAL COUPLED-CLUSTER METHODS AND 4TH-ORDER MANY-BODY PERTURBATION-THEORY
FITZGERALD, G
论文数:
0
引用数:
0
h-index:
0
FITZGERALD, G
HARRISON, RJ
论文数:
0
引用数:
0
h-index:
0
HARRISON, RJ
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
BARTLETT, RJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1986,
85
(09)
: 5143
-
5150
[5]
ANALYTICAL GRADIENT EVALUATION IN COUPLED-CLUSTER THEORY
FITZGERALD, G
论文数:
0
引用数:
0
h-index:
0
FITZGERALD, G
HARRISON, R
论文数:
0
引用数:
0
h-index:
0
HARRISON, R
LAIDIG, WD
论文数:
0
引用数:
0
h-index:
0
LAIDIG, WD
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
BARTLETT, RJ
[J].
CHEMICAL PHYSICS LETTERS,
1985,
117
(05)
: 433
-
436
[6]
FITZGERALD G, 1985, J CHEM PHYS, V82, P4375
[7]
A SYSTEMATIC STUDY OF THE EFFECT OF TRIPLE SUBSTITUTIONS ON THE ELECTRON CORRELATION-ENERGY OF SMALL MOLECULES
FRISCH, MJ
论文数:
0
引用数:
0
h-index:
0
FRISCH, MJ
KRISHNAN, R
论文数:
0
引用数:
0
h-index:
0
KRISHNAN, R
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
CHEMICAL PHYSICS LETTERS,
1980,
75
(01)
: 66
-
68
[8]
ANALYTICAL EVALUATION OF ENERGY GRADIENTS IN QUADRATIC CONFIGURATION-INTERACTION THEORY
GAUSS, J
论文数:
0
引用数:
0
h-index:
0
GAUSS, J
CREMER, D
论文数:
0
引用数:
0
h-index:
0
CREMER, D
[J].
CHEMICAL PHYSICS LETTERS,
1988,
150
(3-4)
: 280
-
286
[9]
IMPLEMENTATION OF ANALYTICAL ENERGY GRADIENTS AT 3RD-ORDER AND 4TH-ORDER MOLLER-PLESSET PERTURBATION-THEORY
GAUSS, J
论文数:
0
引用数:
0
h-index:
0
GAUSS, J
CREMER, D
论文数:
0
引用数:
0
h-index:
0
CREMER, D
[J].
CHEMICAL PHYSICS LETTERS,
1987,
138
(2-3)
: 131
-
140
[10]
GAUSS J, 1988, COLOGNE
←
1
2
3
→