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A UNITARY MULTICONFIGURATIONAL COUPLED-CLUSTER METHOD - THEORY AND APPLICATIONS
被引:172
作者
:
HOFFMANN, MR
论文数:
0
引用数:
0
h-index:
0
HOFFMANN, MR
SIMONS, J
论文数:
0
引用数:
0
h-index:
0
SIMONS, J
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1988年
/ 88卷
/ 02期
关键词
:
D O I
:
10.1063/1.454125
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:993 / 1002
页数:10
相关论文
共 70 条
[1]
THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL
[J].
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
.
JOURNAL OF CHEMICAL PHYSICS,
1985,
82
(02)
:890
-898
[2]
MANY-BODY PERTURBATION CALCULATIONS AND COUPLED ELECTRON PAIR MODELS
[J].
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
Institut für Physikalische Chemie und Elektrochemie, Universität Karlsruhe, 7500 Karlsruhe
AHLRICHS, R
.
COMPUTER PHYSICS COMMUNICATIONS,
1979,
17
(1-2)
:31
-45
[3]
A SIZE CONSISTENT UNITARY-GROUP APPROACH MULTI-REFERENCE LINEAR COUPLED CLUSTER THEORY
[J].
BAKER, H
论文数:
0
引用数:
0
h-index:
0
BAKER, H
;
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
ROBB, MA
.
MOLECULAR PHYSICS,
1983,
50
(05)
:1077
-1082
[4]
A TEST OF MULTICONFIGURATIONAL COUPLED-CLUSTER THEORY ON BE(S1)+H-2(X1-SIGMA-G+)-]BEH2(1A1)
[J].
BANERJEE, A
论文数:
0
引用数:
0
h-index:
0
BANERJEE, A
;
SIMONS, J
论文数:
0
引用数:
0
h-index:
0
SIMONS, J
.
CHEMICAL PHYSICS,
1983,
81
(03)
:297
-302
[5]
MULTICONFIGURATION WAVEFUNCTIONS FOR EXCITED-STATES - SELECTION OF OPTIMAL CONFIGURATIONS - B1SIGMA+ AND D1SIGMA+ STATES OF NH
[J].
BANERJEE, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTON E3B 5A3,NEW BRUNSWICK,CANADA
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTON E3B 5A3,NEW BRUNSWICK,CANADA
BANERJEE, A
;
GREIN, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTON E3B 5A3,NEW BRUNSWICK,CANADA
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTON E3B 5A3,NEW BRUNSWICK,CANADA
GREIN, F
.
JOURNAL OF CHEMICAL PHYSICS,
1977,
66
(03)
:1054
-1062
[6]
MULTICONFIGURATION COUPLED-CLUSTER CALCULATIONS FOR EXCITED ELECTRONIC STATES - APPLICATIONS TO MODEL SYSTEMS
[J].
BANERJEE, A
论文数:
0
引用数:
0
h-index:
0
BANERJEE, A
;
SIMONS, J
论文数:
0
引用数:
0
h-index:
0
SIMONS, J
.
CHEMICAL PHYSICS,
1984,
87
(02)
:215
-221
[7]
THE COUPLED-CLUSTER METHOD WITH A MULTICONFIGURATION REFERENCE STATE
[J].
BANERJEE, A
论文数:
0
引用数:
0
h-index:
0
BANERJEE, A
;
SIMONS, J
论文数:
0
引用数:
0
h-index:
0
SIMONS, J
.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1981,
19
(02)
:207
-216
[8]
APPLICATIONS OF MULTICONFIGURATIONAL COUPLED-CLUSTER THEORY
[J].
BANERJEE, A
论文数:
0
引用数:
0
h-index:
0
BANERJEE, A
;
SIMONS, J
论文数:
0
引用数:
0
h-index:
0
SIMONS, J
.
JOURNAL OF CHEMICAL PHYSICS,
1982,
76
(09)
:4548
-4559
[9]
Bartlett R. J., 1984, ADV THEORIES COMPUTA, P127
[10]
MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER THEORY FOR ELECTRON CORRELATION IN MOLECULES
[J].
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
.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY,
1981,
32
:359
-401
←
1
2
3
4
5
6
7
→
共 70 条
[1]
THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL
[J].
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
.
JOURNAL OF CHEMICAL PHYSICS,
1985,
82
(02)
:890
-898
[2]
MANY-BODY PERTURBATION CALCULATIONS AND COUPLED ELECTRON PAIR MODELS
[J].
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
Institut für Physikalische Chemie und Elektrochemie, Universität Karlsruhe, 7500 Karlsruhe
AHLRICHS, R
.
COMPUTER PHYSICS COMMUNICATIONS,
1979,
17
(1-2)
:31
-45
[3]
A SIZE CONSISTENT UNITARY-GROUP APPROACH MULTI-REFERENCE LINEAR COUPLED CLUSTER THEORY
[J].
BAKER, H
论文数:
0
引用数:
0
h-index:
0
BAKER, H
;
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
ROBB, MA
.
MOLECULAR PHYSICS,
1983,
50
(05)
:1077
-1082
[4]
A TEST OF MULTICONFIGURATIONAL COUPLED-CLUSTER THEORY ON BE(S1)+H-2(X1-SIGMA-G+)-]BEH2(1A1)
[J].
BANERJEE, A
论文数:
0
引用数:
0
h-index:
0
BANERJEE, A
;
SIMONS, J
论文数:
0
引用数:
0
h-index:
0
SIMONS, J
.
CHEMICAL PHYSICS,
1983,
81
(03)
:297
-302
[5]
MULTICONFIGURATION WAVEFUNCTIONS FOR EXCITED-STATES - SELECTION OF OPTIMAL CONFIGURATIONS - B1SIGMA+ AND D1SIGMA+ STATES OF NH
[J].
BANERJEE, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTON E3B 5A3,NEW BRUNSWICK,CANADA
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTON E3B 5A3,NEW BRUNSWICK,CANADA
BANERJEE, A
;
GREIN, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTON E3B 5A3,NEW BRUNSWICK,CANADA
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTON E3B 5A3,NEW BRUNSWICK,CANADA
GREIN, F
.
JOURNAL OF CHEMICAL PHYSICS,
1977,
66
(03)
:1054
-1062
[6]
MULTICONFIGURATION COUPLED-CLUSTER CALCULATIONS FOR EXCITED ELECTRONIC STATES - APPLICATIONS TO MODEL SYSTEMS
[J].
BANERJEE, A
论文数:
0
引用数:
0
h-index:
0
BANERJEE, A
;
SIMONS, J
论文数:
0
引用数:
0
h-index:
0
SIMONS, J
.
CHEMICAL PHYSICS,
1984,
87
(02)
:215
-221
[7]
THE COUPLED-CLUSTER METHOD WITH A MULTICONFIGURATION REFERENCE STATE
[J].
BANERJEE, A
论文数:
0
引用数:
0
h-index:
0
BANERJEE, A
;
SIMONS, J
论文数:
0
引用数:
0
h-index:
0
SIMONS, J
.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1981,
19
(02)
:207
-216
[8]
APPLICATIONS OF MULTICONFIGURATIONAL COUPLED-CLUSTER THEORY
[J].
BANERJEE, A
论文数:
0
引用数:
0
h-index:
0
BANERJEE, A
;
SIMONS, J
论文数:
0
引用数:
0
h-index:
0
SIMONS, J
.
JOURNAL OF CHEMICAL PHYSICS,
1982,
76
(09)
:4548
-4559
[9]
Bartlett R. J., 1984, ADV THEORIES COMPUTA, P127
[10]
MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER THEORY FOR ELECTRON CORRELATION IN MOLECULES
[J].
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
.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY,
1981,
32
:359
-401
←
1
2
3
4
5
6
7
→