学术探索
学术期刊
新闻热点
数据分析
智能评审
立即登录
A UNITARY MULTICONFIGURATIONAL COUPLED-CLUSTER METHOD - THEORY AND APPLICATIONS
被引:165
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
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]
MANY-BODY PERTURBATION CALCULATIONS AND COUPLED ELECTRON PAIR MODELS
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
[J].
COMPUTER PHYSICS COMMUNICATIONS,
1979,
17
(1-2)
: 31
-
45
[3]
A SIZE CONSISTENT UNITARY-GROUP APPROACH MULTI-REFERENCE LINEAR COUPLED CLUSTER THEORY
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
[J].
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)
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
[J].
CHEMICAL PHYSICS,
1983,
81
(03)
: 297
-
302
[5]
MULTICONFIGURATION WAVEFUNCTIONS FOR EXCITED-STATES - SELECTION OF OPTIMAL CONFIGURATIONS - B1SIGMA+ AND D1SIGMA+ STATES OF NH
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1977,
66
(03)
: 1054
-
1062
[6]
MULTICONFIGURATION COUPLED-CLUSTER CALCULATIONS FOR EXCITED ELECTRONIC STATES - APPLICATIONS TO MODEL SYSTEMS
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
[J].
CHEMICAL PHYSICS,
1984,
87
(02)
: 215
-
221
[7]
THE COUPLED-CLUSTER METHOD WITH A MULTICONFIGURATION REFERENCE STATE
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
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1981,
19
(02)
: 207
-
216
[8]
APPLICATIONS OF MULTICONFIGURATIONAL COUPLED-CLUSTER THEORY
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
[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
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
←
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
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]
MANY-BODY PERTURBATION CALCULATIONS AND COUPLED ELECTRON PAIR MODELS
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
[J].
COMPUTER PHYSICS COMMUNICATIONS,
1979,
17
(1-2)
: 31
-
45
[3]
A SIZE CONSISTENT UNITARY-GROUP APPROACH MULTI-REFERENCE LINEAR COUPLED CLUSTER THEORY
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
[J].
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)
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
[J].
CHEMICAL PHYSICS,
1983,
81
(03)
: 297
-
302
[5]
MULTICONFIGURATION WAVEFUNCTIONS FOR EXCITED-STATES - SELECTION OF OPTIMAL CONFIGURATIONS - B1SIGMA+ AND D1SIGMA+ STATES OF NH
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1977,
66
(03)
: 1054
-
1062
[6]
MULTICONFIGURATION COUPLED-CLUSTER CALCULATIONS FOR EXCITED ELECTRONIC STATES - APPLICATIONS TO MODEL SYSTEMS
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
[J].
CHEMICAL PHYSICS,
1984,
87
(02)
: 215
-
221
[7]
THE COUPLED-CLUSTER METHOD WITH A MULTICONFIGURATION REFERENCE STATE
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
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1981,
19
(02)
: 207
-
216
[8]
APPLICATIONS OF MULTICONFIGURATIONAL COUPLED-CLUSTER THEORY
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
[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
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
←
1
2
3
4
5
6
7
→