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DERIVATIVE HARTREE-FOCK THEORY TO ALL ORDERS
被引:271
作者
:
DYKSTRA, CE
论文数:
0
引用数:
0
h-index:
0
DYKSTRA, CE
JASIEN, PG
论文数:
0
引用数:
0
h-index:
0
JASIEN, PG
机构
:
来源
:
CHEMICAL PHYSICS LETTERS
|
1984年
/ 109卷
/ 04期
关键词
:
D O I
:
10.1016/0009-2614(84)85607-9
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:388 / 393
页数:6
相关论文
共 12 条
[1]
SELF-CONSISTENT PERTURBATION THEORY .I. GENERAL FORMULATION AND SOME APPLICATIONS
DIERCKSEN, G
论文数:
0
引用数:
0
h-index:
0
DIERCKSEN, G
MCWEENY, R
论文数:
0
引用数:
0
h-index:
0
MCWEENY, R
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(09)
: 3554
-
+
[2]
DODDS JL, 1977, MOL PHYS, V33, P611, DOI 10.1080/00268977700100561
[3]
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
-
+
[4]
DUNNING TH, 1971, J CHEM PHYS, V55, P715
[5]
ENERGY DERIVATIVES FOR CONFIGURATION-INTERACTION WAVE-FUNCTIONS
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
DUPUIS, M
[J].
JOURNAL OF CHEMICAL PHYSICS,
1981,
74
(10)
: 5758
-
5765
[6]
FORCE CONSTANTS AND DIPOLE-MOMENT DERIVATIVES OF MOLECULES FROM PERTURBED HARTREE-FOCK CALCULATIONS .I.
GERRATT, J
论文数:
0
引用数:
0
h-index:
0
GERRATT, J
MILLS, IM
论文数:
0
引用数:
0
h-index:
0
MILLS, IM
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(04)
: 1719
-
&
[7]
Variable bases in SCF mo calculations
Moccia, R.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Sheffield, Dept Chem, Sheffield S3 7HF, S Yorkshire, England
Univ Sheffield, Dept Chem, Sheffield S3 7HF, S Yorkshire, England
Moccia, R.
[J].
CHEMICAL PHYSICS LETTERS,
1970,
5
(05)
: 260
-
264
[8]
Pople J. A., 1979, International Journal of Quantum Chemistry, P225
[9]
2ND AND 3RD DERIVATIVES OF VARIATIONAL ENERGY EXPRESSIONS - APPLICATION TO MULTICONFIGURATIONAL SELF-CONSISTENT FIELD WAVE-FUNCTIONS
PULAY, P
论文数:
0
引用数:
0
h-index:
0
机构:
EOTVOS LORAND UNIV,DEPT GEN & INORGAN CHEM,H-1364 BUDAPEST 5,HUNGARY
EOTVOS LORAND UNIV,DEPT GEN & INORGAN CHEM,H-1364 BUDAPEST 5,HUNGARY
PULAY, P
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
78
(08)
: 5043
-
5051
[10]
AB INITIO CALCULATION OF FORCE CONSTANTS AND EQUILIBRIUM GEOMETRIES IN POLYATOMIC MOLECULES .I. THEORY
PULAY, P
论文数:
0
引用数:
0
h-index:
0
机构:
Hungarian Academy of Sciences, Research Group for Inorganic Chemistry, Budapest
PULAY, P
[J].
MOLECULAR PHYSICS,
1969,
17
(02)
: 197
-
&
←
1
2
→
共 12 条
[1]
SELF-CONSISTENT PERTURBATION THEORY .I. GENERAL FORMULATION AND SOME APPLICATIONS
DIERCKSEN, G
论文数:
0
引用数:
0
h-index:
0
DIERCKSEN, G
MCWEENY, R
论文数:
0
引用数:
0
h-index:
0
MCWEENY, R
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(09)
: 3554
-
+
[2]
DODDS JL, 1977, MOL PHYS, V33, P611, DOI 10.1080/00268977700100561
[3]
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
-
+
[4]
DUNNING TH, 1971, J CHEM PHYS, V55, P715
[5]
ENERGY DERIVATIVES FOR CONFIGURATION-INTERACTION WAVE-FUNCTIONS
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
DUPUIS, M
[J].
JOURNAL OF CHEMICAL PHYSICS,
1981,
74
(10)
: 5758
-
5765
[6]
FORCE CONSTANTS AND DIPOLE-MOMENT DERIVATIVES OF MOLECULES FROM PERTURBED HARTREE-FOCK CALCULATIONS .I.
GERRATT, J
论文数:
0
引用数:
0
h-index:
0
GERRATT, J
MILLS, IM
论文数:
0
引用数:
0
h-index:
0
MILLS, IM
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(04)
: 1719
-
&
[7]
Variable bases in SCF mo calculations
Moccia, R.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Sheffield, Dept Chem, Sheffield S3 7HF, S Yorkshire, England
Univ Sheffield, Dept Chem, Sheffield S3 7HF, S Yorkshire, England
Moccia, R.
[J].
CHEMICAL PHYSICS LETTERS,
1970,
5
(05)
: 260
-
264
[8]
Pople J. A., 1979, International Journal of Quantum Chemistry, P225
[9]
2ND AND 3RD DERIVATIVES OF VARIATIONAL ENERGY EXPRESSIONS - APPLICATION TO MULTICONFIGURATIONAL SELF-CONSISTENT FIELD WAVE-FUNCTIONS
PULAY, P
论文数:
0
引用数:
0
h-index:
0
机构:
EOTVOS LORAND UNIV,DEPT GEN & INORGAN CHEM,H-1364 BUDAPEST 5,HUNGARY
EOTVOS LORAND UNIV,DEPT GEN & INORGAN CHEM,H-1364 BUDAPEST 5,HUNGARY
PULAY, P
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
78
(08)
: 5043
-
5051
[10]
AB INITIO CALCULATION OF FORCE CONSTANTS AND EQUILIBRIUM GEOMETRIES IN POLYATOMIC MOLECULES .I. THEORY
PULAY, P
论文数:
0
引用数:
0
h-index:
0
机构:
Hungarian Academy of Sciences, Research Group for Inorganic Chemistry, Budapest
PULAY, P
[J].
MOLECULAR PHYSICS,
1969,
17
(02)
: 197
-
&
←
1
2
→