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AN AUGMENTED COUPLED CLUSTER METHOD AND ITS APPLICATION TO THE 1ST-ROW HOMONUCLEAR DIATOMICS
被引:190
作者
:
RAGHAVACHARI, K
论文数:
0
引用数:
0
h-index:
0
RAGHAVACHARI, K
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1985年
/ 82卷
/ 10期
关键词
:
D O I
:
10.1063/1.448718
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:4607 / 4610
页数:4
相关论文
共 36 条
[1]
THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
AHLRICHS, R
SCHARF, P
论文数:
0
引用数:
0
h-index:
0
SCHARF, P
EHRHARDT, C
论文数:
0
引用数:
0
h-index:
0
EHRHARDT, C
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
82
(02)
: 890
-
898
[2]
AHLRICHS R, COMMUNICATION
[3]
MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER THEORY FOR ELECTRON CORRELATION IN MOLECULES
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, COLUMBUS, OH 43201 USA
BATTELLE MEM INST, COLUMBUS, OH 43201 USA
BARTLETT, RJ
[J].
ANNUAL REVIEW OF PHYSICAL CHEMISTRY,
1981,
32
: 359
-
401
[4]
BARTLETT RJ, 1983, CHEM PHYS LETT, V98, P66, DOI 10.1016/0009-2614(83)80204-8
[5]
COMPARISON OF HIGH-ORDER MANY-BODY PERTURBATION-THEORY AND CONFIGURATION INTERACTION FOR H2O
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, COLUMBUS LABS, COLUMBUS, OH 43201 USA
BARTLETT, RJ
SHAVITT, I
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, COLUMBUS LABS, COLUMBUS, OH 43201 USA
SHAVITT, I
[J].
CHEMICAL PHYSICS LETTERS,
1977,
50
(02)
: 190
-
198
[6]
MANY-BODY PERTURBATION-THEORY, COUPLED-PAIR MANY-ELECTRON THEORY, AND IMPORTANCE OF QUADRUPLE EXCITATIONS FOR CORRELATION PROBLEM
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
Battelle Columbus Laboratories, Columbus, Ohio
BARTLETT, RJ
PURVIS, GD
论文数:
0
引用数:
0
h-index:
0
机构:
Battelle Columbus Laboratories, Columbus, Ohio
PURVIS, GD
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1978,
14
(05)
: 561
-
581
[7]
BARTLETT RJ, 1975, INT J QUANTUM CHEM, P183
[8]
MOLECULAR APPLICATIONS OF COUPLED CLUSTER AND MANY-BODY PERTURBATION-METHODS
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
BARTLETT, RJ
PURVIS, GD
论文数:
0
引用数:
0
h-index:
0
PURVIS, GD
[J].
PHYSICA SCRIPTA,
1980,
21
(3-4)
: 255
-
265
[9]
BINKLEY JS, 1983, INT J QUANTUM CHEM, P331
[10]
MOLLER-PLESSET THEORY FOR ATOMIC GROUND-STATE ENERGIES
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1975,
9
(02)
: 229
-
236
←
1
2
3
4
→
共 36 条
[1]
THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
AHLRICHS, R
SCHARF, P
论文数:
0
引用数:
0
h-index:
0
SCHARF, P
EHRHARDT, C
论文数:
0
引用数:
0
h-index:
0
EHRHARDT, C
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
82
(02)
: 890
-
898
[2]
AHLRICHS R, COMMUNICATION
[3]
MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER THEORY FOR ELECTRON CORRELATION IN MOLECULES
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, COLUMBUS, OH 43201 USA
BATTELLE MEM INST, COLUMBUS, OH 43201 USA
BARTLETT, RJ
[J].
ANNUAL REVIEW OF PHYSICAL CHEMISTRY,
1981,
32
: 359
-
401
[4]
BARTLETT RJ, 1983, CHEM PHYS LETT, V98, P66, DOI 10.1016/0009-2614(83)80204-8
[5]
COMPARISON OF HIGH-ORDER MANY-BODY PERTURBATION-THEORY AND CONFIGURATION INTERACTION FOR H2O
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, COLUMBUS LABS, COLUMBUS, OH 43201 USA
BARTLETT, RJ
SHAVITT, I
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, COLUMBUS LABS, COLUMBUS, OH 43201 USA
SHAVITT, I
[J].
CHEMICAL PHYSICS LETTERS,
1977,
50
(02)
: 190
-
198
[6]
MANY-BODY PERTURBATION-THEORY, COUPLED-PAIR MANY-ELECTRON THEORY, AND IMPORTANCE OF QUADRUPLE EXCITATIONS FOR CORRELATION PROBLEM
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
Battelle Columbus Laboratories, Columbus, Ohio
BARTLETT, RJ
PURVIS, GD
论文数:
0
引用数:
0
h-index:
0
机构:
Battelle Columbus Laboratories, Columbus, Ohio
PURVIS, GD
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1978,
14
(05)
: 561
-
581
[7]
BARTLETT RJ, 1975, INT J QUANTUM CHEM, P183
[8]
MOLECULAR APPLICATIONS OF COUPLED CLUSTER AND MANY-BODY PERTURBATION-METHODS
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
BARTLETT, RJ
PURVIS, GD
论文数:
0
引用数:
0
h-index:
0
PURVIS, GD
[J].
PHYSICA SCRIPTA,
1980,
21
(3-4)
: 255
-
265
[9]
BINKLEY JS, 1983, INT J QUANTUM CHEM, P331
[10]
MOLLER-PLESSET THEORY FOR ATOMIC GROUND-STATE ENERGIES
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1975,
9
(02)
: 229
-
236
←
1
2
3
4
→