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A NEW IMPLEMENTATION OF THE FULL CCSDT MODEL FOR MOLECULAR ELECTRONIC-STRUCTURE
被引:622
作者
:
SCUSERIA, GE
论文数:
0
引用数:
0
h-index:
0
SCUSERIA, GE
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
SCHAEFER, HF
机构
:
来源
:
CHEMICAL PHYSICS LETTERS
|
1988年
/ 152卷
/ 4-5期
关键词
:
D O I
:
10.1016/0009-2614(88)80110-6
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:382 / 386
页数:5
相关论文
共 39 条
[1]
[Anonymous], STAT MECH
[2]
Bartlett R. J., 1984, ADV THEORIES COMPUTA, P127
[3]
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
[4]
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
[5]
A SYSTEMATIC THEORETICAL-STUDY OF HARMONIC VIBRATIONAL FREQUENCIES - THE SINGLE AND DOUBLE EXCITATION COUPLED CLUSTER (CCSD) METHOD
BESLER, BH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,SCH CHEM SCI,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
UNIV GEORGIA,SCH CHEM SCI,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
BESLER, BH
SCUSERIA, GE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,SCH CHEM SCI,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
UNIV GEORGIA,SCH CHEM SCI,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
SCUSERIA, GE
SCHEINER, AC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,SCH CHEM SCI,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
UNIV GEORGIA,SCH CHEM SCI,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
SCHEINER, AC
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,SCH CHEM SCI,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
UNIV GEORGIA,SCH CHEM SCI,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
SCHAEFER, HF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1988,
89
(01)
: 360
-
366
[6]
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
[7]
CIZEK J, 1966, J CHEM PHYS, V45, P4256
[8]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
: 2823
-
+
[9]
Herzberg G., 1979, MOL SPECTRA MOL STRU, VIV
[10]
HOFFMANN M, 1987, ADV QUANTUM CHEM, V18, P207
←
1
2
3
4
→
共 39 条
[1]
[Anonymous], STAT MECH
[2]
Bartlett R. J., 1984, ADV THEORIES COMPUTA, P127
[3]
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
[4]
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
[5]
A SYSTEMATIC THEORETICAL-STUDY OF HARMONIC VIBRATIONAL FREQUENCIES - THE SINGLE AND DOUBLE EXCITATION COUPLED CLUSTER (CCSD) METHOD
BESLER, BH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,SCH CHEM SCI,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
UNIV GEORGIA,SCH CHEM SCI,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
BESLER, BH
SCUSERIA, GE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,SCH CHEM SCI,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
UNIV GEORGIA,SCH CHEM SCI,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
SCUSERIA, GE
SCHEINER, AC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,SCH CHEM SCI,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
UNIV GEORGIA,SCH CHEM SCI,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
SCHEINER, AC
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,SCH CHEM SCI,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
UNIV GEORGIA,SCH CHEM SCI,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
SCHAEFER, HF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1988,
89
(01)
: 360
-
366
[6]
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
[7]
CIZEK J, 1966, J CHEM PHYS, V45, P4256
[8]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
: 2823
-
+
[9]
Herzberg G., 1979, MOL SPECTRA MOL STRU, VIV
[10]
HOFFMANN M, 1987, ADV QUANTUM CHEM, V18, P207
←
1
2
3
4
→