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RECENT ADVANCES IN MULTIREFERENCE 2ND-ORDER PERTURBATION CI - THE CIPSI METHOD REVISITED
被引:136
作者
:
CIMIRAGLIA, R
论文数:
0
引用数:
0
h-index:
0
CIMIRAGLIA, R
PERSICO, M
论文数:
0
引用数:
0
h-index:
0
PERSICO, M
机构
:
来源
:
JOURNAL OF COMPUTATIONAL CHEMISTRY
|
1987年
/ 8卷
/ 01期
关键词
:
D O I
:
10.1002/jcc.540080105
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:39 / 47
页数:9
相关论文
共 35 条
[1]
[Anonymous], COMPUTATIONAL THEORE
[2]
NON-EMPIRICAL PSEUDOPOTENTIALS FOR MOLECULAR CALCULATIONS .1. PSIBMOL ALGORITHM AND TEST CALCULATIONS
BARTHELAT, JC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TOULOUSE 3,PHYS QUANT LAB,F-31077 TOULOUSE,FRANCE
BARTHELAT, JC
DURAND, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TOULOUSE 3,PHYS QUANT LAB,F-31077 TOULOUSE,FRANCE
DURAND, P
SERAFINI, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TOULOUSE 3,PHYS QUANT LAB,F-31077 TOULOUSE,FRANCE
SERAFINI, A
[J].
MOLECULAR PHYSICS,
1977,
33
(01)
: 159
-
180
[3]
APPLICABILITY OF MULTI-REFERENCE DOUBLE-EXCITATION CI (MRD-CI) METHOD TO CALCULATION OF ELECTRONIC WAVEFUNCTIONS AND COMPARISON WITH RELATED TECHNIQUES
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, INST PHYS CHEM, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
UNIV BONN, INST PHYS CHEM, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
BUENKER, RJ
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, INST PHYS CHEM, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
UNIV BONN, INST PHYS CHEM, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
PEYERIMHOFF, SD
BUTSCHER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, INST PHYS CHEM, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
UNIV BONN, INST PHYS CHEM, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
BUTSCHER, W
[J].
MOLECULAR PHYSICS,
1978,
35
(03)
: 771
-
791
[4]
MICROWAVE SPECTRUM AND MOLECULAR STRUCTURE OF TRANS-ACROLEIN
CHERNIAK, EA
论文数:
0
引用数:
0
h-index:
0
CHERNIAK, EA
COSTAIN, CC
论文数:
0
引用数:
0
h-index:
0
COSTAIN, CC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
45
(01)
: 104
-
&
[5]
QUASI-DIABATIC STATES AND DYNAMICAL COUPLINGS FROM ABINITIO CI CALCULATIONS - A NEW PROPOSAL
CIMIRAGLIA, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TOULOUSE 3,PHYS QUANT LAB,ERA 821,F-31062 TOULOUSE,FRANCE
UNIV TOULOUSE 3,PHYS QUANT LAB,ERA 821,F-31062 TOULOUSE,FRANCE
CIMIRAGLIA, R
MALRIEU, JP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TOULOUSE 3,PHYS QUANT LAB,ERA 821,F-31062 TOULOUSE,FRANCE
UNIV TOULOUSE 3,PHYS QUANT LAB,ERA 821,F-31062 TOULOUSE,FRANCE
MALRIEU, JP
PERSICO, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TOULOUSE 3,PHYS QUANT LAB,ERA 821,F-31062 TOULOUSE,FRANCE
UNIV TOULOUSE 3,PHYS QUANT LAB,ERA 821,F-31062 TOULOUSE,FRANCE
PERSICO, M
SPIEGELMANN, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TOULOUSE 3,PHYS QUANT LAB,ERA 821,F-31062 TOULOUSE,FRANCE
UNIV TOULOUSE 3,PHYS QUANT LAB,ERA 821,F-31062 TOULOUSE,FRANCE
SPIEGELMANN, F
[J].
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS,
1985,
18
(15)
: 3073
-
3084
[6]
2ND ORDER PERTURBATION CORRECTION TO CL ENERGIES BY USE OF DIAGRAMMATIC TECHNIQUES - AN IMPROVEMENT TO THE CIPSI ALGORITHM
CIMIRAGLIA, R
论文数:
0
引用数:
0
h-index:
0
CIMIRAGLIA, R
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
83
(04)
: 1746
-
1749
[7]
ABINITIO STUDY OF THE PHOTODISSOCIATION OF NITROSOALKANES AND NITROSAMINES
CIMIRAGLIA, R
论文数:
0
引用数:
0
h-index:
0
CIMIRAGLIA, R
PERSICO, M
论文数:
0
引用数:
0
h-index:
0
PERSICO, M
TOMASI, J
论文数:
0
引用数:
0
h-index:
0
TOMASI, J
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1985,
107
(06)
: 1617
-
1622
[8]
CIMIRAGLIA R, UNPUB
[9]
DAUDEY JP, 1982, CURRENT ASPECTS QUAN, P35
[10]
ITERATIVE CALCULATION OF A FEW OF LOWEST EIGENVALUES AND CORRESPONDING EIGENVECTORS OF LARGE REAL-SYMMETRIC MATRICES
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,505 KING AVE,COLUMBUS,OH 43220
BATTELLE MEM INST,505 KING AVE,COLUMBUS,OH 43220
DAVIDSON, ER
[J].
JOURNAL OF COMPUTATIONAL PHYSICS,
1975,
17
(01)
: 87
-
94
←
1
2
3
4
→
共 35 条
[1]
[Anonymous], COMPUTATIONAL THEORE
[2]
NON-EMPIRICAL PSEUDOPOTENTIALS FOR MOLECULAR CALCULATIONS .1. PSIBMOL ALGORITHM AND TEST CALCULATIONS
BARTHELAT, JC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TOULOUSE 3,PHYS QUANT LAB,F-31077 TOULOUSE,FRANCE
BARTHELAT, JC
DURAND, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TOULOUSE 3,PHYS QUANT LAB,F-31077 TOULOUSE,FRANCE
DURAND, P
SERAFINI, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TOULOUSE 3,PHYS QUANT LAB,F-31077 TOULOUSE,FRANCE
SERAFINI, A
[J].
MOLECULAR PHYSICS,
1977,
33
(01)
: 159
-
180
[3]
APPLICABILITY OF MULTI-REFERENCE DOUBLE-EXCITATION CI (MRD-CI) METHOD TO CALCULATION OF ELECTRONIC WAVEFUNCTIONS AND COMPARISON WITH RELATED TECHNIQUES
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, INST PHYS CHEM, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
UNIV BONN, INST PHYS CHEM, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
BUENKER, RJ
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, INST PHYS CHEM, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
UNIV BONN, INST PHYS CHEM, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
PEYERIMHOFF, SD
BUTSCHER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, INST PHYS CHEM, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
UNIV BONN, INST PHYS CHEM, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
BUTSCHER, W
[J].
MOLECULAR PHYSICS,
1978,
35
(03)
: 771
-
791
[4]
MICROWAVE SPECTRUM AND MOLECULAR STRUCTURE OF TRANS-ACROLEIN
CHERNIAK, EA
论文数:
0
引用数:
0
h-index:
0
CHERNIAK, EA
COSTAIN, CC
论文数:
0
引用数:
0
h-index:
0
COSTAIN, CC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
45
(01)
: 104
-
&
[5]
QUASI-DIABATIC STATES AND DYNAMICAL COUPLINGS FROM ABINITIO CI CALCULATIONS - A NEW PROPOSAL
CIMIRAGLIA, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TOULOUSE 3,PHYS QUANT LAB,ERA 821,F-31062 TOULOUSE,FRANCE
UNIV TOULOUSE 3,PHYS QUANT LAB,ERA 821,F-31062 TOULOUSE,FRANCE
CIMIRAGLIA, R
MALRIEU, JP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TOULOUSE 3,PHYS QUANT LAB,ERA 821,F-31062 TOULOUSE,FRANCE
UNIV TOULOUSE 3,PHYS QUANT LAB,ERA 821,F-31062 TOULOUSE,FRANCE
MALRIEU, JP
PERSICO, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TOULOUSE 3,PHYS QUANT LAB,ERA 821,F-31062 TOULOUSE,FRANCE
UNIV TOULOUSE 3,PHYS QUANT LAB,ERA 821,F-31062 TOULOUSE,FRANCE
PERSICO, M
SPIEGELMANN, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TOULOUSE 3,PHYS QUANT LAB,ERA 821,F-31062 TOULOUSE,FRANCE
UNIV TOULOUSE 3,PHYS QUANT LAB,ERA 821,F-31062 TOULOUSE,FRANCE
SPIEGELMANN, F
[J].
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS,
1985,
18
(15)
: 3073
-
3084
[6]
2ND ORDER PERTURBATION CORRECTION TO CL ENERGIES BY USE OF DIAGRAMMATIC TECHNIQUES - AN IMPROVEMENT TO THE CIPSI ALGORITHM
CIMIRAGLIA, R
论文数:
0
引用数:
0
h-index:
0
CIMIRAGLIA, R
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
83
(04)
: 1746
-
1749
[7]
ABINITIO STUDY OF THE PHOTODISSOCIATION OF NITROSOALKANES AND NITROSAMINES
CIMIRAGLIA, R
论文数:
0
引用数:
0
h-index:
0
CIMIRAGLIA, R
PERSICO, M
论文数:
0
引用数:
0
h-index:
0
PERSICO, M
TOMASI, J
论文数:
0
引用数:
0
h-index:
0
TOMASI, J
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1985,
107
(06)
: 1617
-
1622
[8]
CIMIRAGLIA R, UNPUB
[9]
DAUDEY JP, 1982, CURRENT ASPECTS QUAN, P35
[10]
ITERATIVE CALCULATION OF A FEW OF LOWEST EIGENVALUES AND CORRESPONDING EIGENVECTORS OF LARGE REAL-SYMMETRIC MATRICES
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,505 KING AVE,COLUMBUS,OH 43220
BATTELLE MEM INST,505 KING AVE,COLUMBUS,OH 43220
DAVIDSON, ER
[J].
JOURNAL OF COMPUTATIONAL PHYSICS,
1975,
17
(01)
: 87
-
94
←
1
2
3
4
→