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AN EFFICIENT 2ND-ORDER MC SCF METHOD FOR LONG CONFIGURATION EXPANSIONS
被引:2624
作者
:
KNOWLES, PJ
论文数:
0
引用数:
0
h-index:
0
KNOWLES, PJ
WERNER, HJ
论文数:
0
引用数:
0
h-index:
0
WERNER, HJ
机构
:
来源
:
CHEMICAL PHYSICS LETTERS
|
1985年
/ 115卷
/ 03期
关键词
:
D O I
:
10.1016/0009-2614(85)80025-7
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:259 / 267
页数:9
相关论文
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A NEW DIRECT CI METHOD FOR LARGE CI EXPANSIONS IN A SMALL ORBITAL SPACE
SIEGBAHN, PEM
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0
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SIEGBAHN, PEM
[J].
CHEMICAL PHYSICS LETTERS,
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109
(05)
: 417
-
423
[22]
GAUSSIAN BASIS SET FOR MOLECULAR WAVEFUNCTIONS CONTAINING THIRD-ROW ATOMS
WACHTERS, AJ
论文数:
0
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[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(03)
: 1033
-
&
[23]
A QUADRATICALLY CONVERGENT MULTICONFIGURATION-SELF-CONSISTENT FIELD METHOD WITH SIMULTANEOUS-OPTIMIZATION OF ORBITALS AND CL COEFFICIENTS
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UNIV KAISERSLAUTERN,INST PHYS CHEM,D-6750 KAISERSLAUTERN,FED REP GER
UNIV KAISERSLAUTERN,INST PHYS CHEM,D-6750 KAISERSLAUTERN,FED REP GER
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论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KAISERSLAUTERN,INST PHYS CHEM,D-6750 KAISERSLAUTERN,FED REP GER
UNIV KAISERSLAUTERN,INST PHYS CHEM,D-6750 KAISERSLAUTERN,FED REP GER
MEYER, W
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
73
(05)
: 2342
-
2356
[24]
A QUADRATICALLY CONVERGENT MCSCF METHOD FOR THE SIMULTANEOUS-OPTIMIZATION OF SEVERAL STATES
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UNIV KAISERSLAUTERN,FACHBEREICH CHEM,D-6750 KAISERSLAUTERN,FED REP GER
WERNER, HJ
MEYER, W
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UNIV KAISERSLAUTERN,FACHBEREICH CHEM,D-6750 KAISERSLAUTERN,FED REP GER
UNIV KAISERSLAUTERN,FACHBEREICH CHEM,D-6750 KAISERSLAUTERN,FED REP GER
MEYER, W
[J].
JOURNAL OF CHEMICAL PHYSICS,
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74
(10)
: 5794
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5801
[25]
THE SELF-CONSISTENT ELECTRON PAIRS METHOD FOR MULTICONFIGURATION REFERENCE STATE FUNCTIONS
WERNER, HJ
论文数:
0
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0
h-index:
0
WERNER, HJ
REINSCH, EA
论文数:
0
引用数:
0
h-index:
0
REINSCH, EA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1982,
76
(06)
: 3144
-
3156
[26]
WERNER HJ, UNPUB J CHEM PHYS
[27]
WERNER HJ, 1984, ADV THEORIES COMPUTA, P79
←
1
2
3
→
共 27 条
[21]
A NEW DIRECT CI METHOD FOR LARGE CI EXPANSIONS IN A SMALL ORBITAL SPACE
SIEGBAHN, PEM
论文数:
0
引用数:
0
h-index:
0
SIEGBAHN, PEM
[J].
CHEMICAL PHYSICS LETTERS,
1984,
109
(05)
: 417
-
423
[22]
GAUSSIAN BASIS SET FOR MOLECULAR WAVEFUNCTIONS CONTAINING THIRD-ROW ATOMS
WACHTERS, AJ
论文数:
0
引用数:
0
h-index:
0
WACHTERS, AJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(03)
: 1033
-
&
[23]
A QUADRATICALLY CONVERGENT MULTICONFIGURATION-SELF-CONSISTENT FIELD METHOD WITH SIMULTANEOUS-OPTIMIZATION OF ORBITALS AND CL COEFFICIENTS
WERNER, HJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KAISERSLAUTERN,INST PHYS CHEM,D-6750 KAISERSLAUTERN,FED REP GER
UNIV KAISERSLAUTERN,INST PHYS CHEM,D-6750 KAISERSLAUTERN,FED REP GER
WERNER, HJ
MEYER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KAISERSLAUTERN,INST PHYS CHEM,D-6750 KAISERSLAUTERN,FED REP GER
UNIV KAISERSLAUTERN,INST PHYS CHEM,D-6750 KAISERSLAUTERN,FED REP GER
MEYER, W
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
73
(05)
: 2342
-
2356
[24]
A QUADRATICALLY CONVERGENT MCSCF METHOD FOR THE SIMULTANEOUS-OPTIMIZATION OF SEVERAL STATES
WERNER, HJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KAISERSLAUTERN,FACHBEREICH CHEM,D-6750 KAISERSLAUTERN,FED REP GER
UNIV KAISERSLAUTERN,FACHBEREICH CHEM,D-6750 KAISERSLAUTERN,FED REP GER
WERNER, HJ
MEYER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KAISERSLAUTERN,FACHBEREICH CHEM,D-6750 KAISERSLAUTERN,FED REP GER
UNIV KAISERSLAUTERN,FACHBEREICH CHEM,D-6750 KAISERSLAUTERN,FED REP GER
MEYER, W
[J].
JOURNAL OF CHEMICAL PHYSICS,
1981,
74
(10)
: 5794
-
5801
[25]
THE SELF-CONSISTENT ELECTRON PAIRS METHOD FOR MULTICONFIGURATION REFERENCE STATE FUNCTIONS
WERNER, HJ
论文数:
0
引用数:
0
h-index:
0
WERNER, HJ
REINSCH, EA
论文数:
0
引用数:
0
h-index:
0
REINSCH, EA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1982,
76
(06)
: 3144
-
3156
[26]
WERNER HJ, UNPUB J CHEM PHYS
[27]
WERNER HJ, 1984, ADV THEORIES COMPUTA, P79
←
1
2
3
→