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THE CLOSED-SHELL COUPLED CLUSTER SINGLE AND DOUBLE EXCITATION (CCSD) MODEL FOR THE DESCRIPTION OF ELECTRON CORRELATION - A COMPARISON WITH CONFIGURATION-INTERACTION (CISD) RESULTS
被引:362
作者
:
SCUSERIA, GE
论文数:
0
引用数:
0
h-index:
0
SCUSERIA, GE
SCHEINER, AC
论文数:
0
引用数:
0
h-index:
0
SCHEINER, AC
LEE, TJ
论文数:
0
引用数:
0
h-index:
0
LEE, TJ
RICE, JE
论文数:
0
引用数:
0
h-index:
0
RICE, JE
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
SCHAEFER, HF
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1987年
/ 86卷
/ 05期
关键词
:
D O I
:
10.1063/1.452039
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:2881 / 2890
页数:10
相关论文
共 43 条
[1]
Bartlett R. J., 1984, ADV THEORIES COMPUTA, P127
[2]
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
[3]
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
[4]
BARTLETT RJ, UNPUB
[5]
A FULL CI TREATMENT OF NE ATOM - A BENCHMARK CALCULATION PERFORMED ON THE NAS CRAY 2
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
ELORET INST,SUNNYVALE,CA 94087
ELORET INST,SUNNYVALE,CA 94087
BAUSCHLICHER, CW
LANGHOFF, SR
论文数:
0
引用数:
0
h-index:
0
机构:
ELORET INST,SUNNYVALE,CA 94087
ELORET INST,SUNNYVALE,CA 94087
LANGHOFF, SR
TAYLOR, PR
论文数:
0
引用数:
0
h-index:
0
机构:
ELORET INST,SUNNYVALE,CA 94087
ELORET INST,SUNNYVALE,CA 94087
TAYLOR, PR
PARTRIDGE, H
论文数:
0
引用数:
0
h-index:
0
机构:
ELORET INST,SUNNYVALE,CA 94087
ELORET INST,SUNNYVALE,CA 94087
PARTRIDGE, H
[J].
CHEMICAL PHYSICS LETTERS,
1986,
126
(05)
: 436
-
440
[6]
GRAPHICAL UNITARY GROUP-APPROACH TO THE ELECTRON CORRELATION PROBLEM - METHODS AND PRELIMINARY APPLICATIONS
BROOKS, BR
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
BROOKS, BR
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
SCHAEFER, HF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
70
(11)
: 5092
-
5106
[7]
AN ELECTRON PAIR OPERATOR APPROACH TO COUPLED CLUSTER WAVE-FUNCTIONS - APPLICATION TO HE-2, BE-2, AND MG-2 AND COMPARISON WITH CEPA METHODS
CHILES, RA
论文数:
0
引用数:
0
h-index:
0
CHILES, RA
DYKSTRA, CE
论文数:
0
引用数:
0
h-index:
0
DYKSTRA, CE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1981,
74
(08)
: 4544
-
4556
[8]
SINGLET-TRIPLET ENERGY-GAP IN METHYLENE USING MANY-BODY METHODS
COLE, SJ
论文数:
0
引用数:
0
h-index:
0
COLE, SJ
PURVIS, GD
论文数:
0
引用数:
0
h-index:
0
PURVIS, GD
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
BARTLETT, RJ
[J].
CHEMICAL PHYSICS LETTERS,
1985,
113
(03)
: 271
-
274
[9]
KINETIC STUDY OF PROTON HYDRATE H+ (H2O)N EQUILIBRIA IN GAS-PHASE
CUNNINGHAM, AJ
论文数:
0
引用数:
0
h-index:
0
CUNNINGHAM, AJ
PAYZANT, JD
论文数:
0
引用数:
0
h-index:
0
PAYZANT, JD
KEBARLE, P
论文数:
0
引用数:
0
h-index:
0
KEBARLE, P
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(22)
: 7627
-
+
[10]
Davidson E., 1974, WORLD QUANTUM CHEM, P17
←
1
2
3
4
5
→
共 43 条
[1]
Bartlett R. J., 1984, ADV THEORIES COMPUTA, P127
[2]
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
[3]
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
[4]
BARTLETT RJ, UNPUB
[5]
A FULL CI TREATMENT OF NE ATOM - A BENCHMARK CALCULATION PERFORMED ON THE NAS CRAY 2
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
ELORET INST,SUNNYVALE,CA 94087
ELORET INST,SUNNYVALE,CA 94087
BAUSCHLICHER, CW
LANGHOFF, SR
论文数:
0
引用数:
0
h-index:
0
机构:
ELORET INST,SUNNYVALE,CA 94087
ELORET INST,SUNNYVALE,CA 94087
LANGHOFF, SR
TAYLOR, PR
论文数:
0
引用数:
0
h-index:
0
机构:
ELORET INST,SUNNYVALE,CA 94087
ELORET INST,SUNNYVALE,CA 94087
TAYLOR, PR
PARTRIDGE, H
论文数:
0
引用数:
0
h-index:
0
机构:
ELORET INST,SUNNYVALE,CA 94087
ELORET INST,SUNNYVALE,CA 94087
PARTRIDGE, H
[J].
CHEMICAL PHYSICS LETTERS,
1986,
126
(05)
: 436
-
440
[6]
GRAPHICAL UNITARY GROUP-APPROACH TO THE ELECTRON CORRELATION PROBLEM - METHODS AND PRELIMINARY APPLICATIONS
BROOKS, BR
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
BROOKS, BR
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
SCHAEFER, HF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
70
(11)
: 5092
-
5106
[7]
AN ELECTRON PAIR OPERATOR APPROACH TO COUPLED CLUSTER WAVE-FUNCTIONS - APPLICATION TO HE-2, BE-2, AND MG-2 AND COMPARISON WITH CEPA METHODS
CHILES, RA
论文数:
0
引用数:
0
h-index:
0
CHILES, RA
DYKSTRA, CE
论文数:
0
引用数:
0
h-index:
0
DYKSTRA, CE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1981,
74
(08)
: 4544
-
4556
[8]
SINGLET-TRIPLET ENERGY-GAP IN METHYLENE USING MANY-BODY METHODS
COLE, SJ
论文数:
0
引用数:
0
h-index:
0
COLE, SJ
PURVIS, GD
论文数:
0
引用数:
0
h-index:
0
PURVIS, GD
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
BARTLETT, RJ
[J].
CHEMICAL PHYSICS LETTERS,
1985,
113
(03)
: 271
-
274
[9]
KINETIC STUDY OF PROTON HYDRATE H+ (H2O)N EQUILIBRIA IN GAS-PHASE
CUNNINGHAM, AJ
论文数:
0
引用数:
0
h-index:
0
CUNNINGHAM, AJ
PAYZANT, JD
论文数:
0
引用数:
0
h-index:
0
PAYZANT, JD
KEBARLE, P
论文数:
0
引用数:
0
h-index:
0
KEBARLE, P
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(22)
: 7627
-
+
[10]
Davidson E., 1974, WORLD QUANTUM CHEM, P17
←
1
2
3
4
5
→