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PERTURBATION CORRECTIONS TO KOOPMANS THEOREM .1. DOUBLE-ZETA SLATER-TYPE-ORBITAL BASIS
被引:125
作者
:
CHONG, DP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BRITISH COLUMBIA, DEPT CHEM, VANCOUVER 8, BRITISH COLUMBI, CANADA
UNIV BRITISH COLUMBIA, DEPT CHEM, VANCOUVER 8, BRITISH COLUMBI, CANADA
CHONG, DP
[
1
]
HERRING, FG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BRITISH COLUMBIA, DEPT CHEM, VANCOUVER 8, BRITISH COLUMBI, CANADA
UNIV BRITISH COLUMBIA, DEPT CHEM, VANCOUVER 8, BRITISH COLUMBI, CANADA
HERRING, FG
[
1
]
MCWILLIAMS, D
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BRITISH COLUMBIA, DEPT CHEM, VANCOUVER 8, BRITISH COLUMBI, CANADA
UNIV BRITISH COLUMBIA, DEPT CHEM, VANCOUVER 8, BRITISH COLUMBI, CANADA
MCWILLIAMS, D
[
1
]
机构
:
[1]
UNIV BRITISH COLUMBIA, DEPT CHEM, VANCOUVER 8, BRITISH COLUMBI, CANADA
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1974年
/ 61卷
/ 01期
关键词
:
D O I
:
10.1063/1.1681673
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:78 / 84
页数:7
相关论文
共 58 条
[1]
EXAMPLES OF KNOWN SCF PROCEDURES WHICH DO NOT SATISFY ALL NECESSARY CONDITIONS FOR ENERGY TO BE STATIONARY
ALBAT, R
论文数:
0
引用数:
0
h-index:
0
机构:
JUSTUS LIEBIG UNIV,INST THEORET PHYS,GIESSEN,WEST GERMANY
JUSTUS LIEBIG UNIV,INST THEORET PHYS,GIESSEN,WEST GERMANY
ALBAT, R
GRUEN, N
论文数:
0
引用数:
0
h-index:
0
机构:
JUSTUS LIEBIG UNIV,INST THEORET PHYS,GIESSEN,WEST GERMANY
JUSTUS LIEBIG UNIV,INST THEORET PHYS,GIESSEN,WEST GERMANY
GRUEN, N
[J].
CHEMICAL PHYSICS LETTERS,
1973,
18
(04)
: 572
-
573
[2]
DERIVATION OF GENERAL OPEN-SHELL SCF EQUATIONS FOR ATOMS AND MOLECULES WITH A GREEN-FUNCTION METHOD
ALBAT, R
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0
引用数:
0
h-index:
0
机构:
JUSTUS LIEBIG UNIV,INST THEORET PHYS,GIESSEN,WEST GERMANY
JUSTUS LIEBIG UNIV,INST THEORET PHYS,GIESSEN,WEST GERMANY
ALBAT, R
GRUEN, N
论文数:
0
引用数:
0
h-index:
0
机构:
JUSTUS LIEBIG UNIV,INST THEORET PHYS,GIESSEN,WEST GERMANY
JUSTUS LIEBIG UNIV,INST THEORET PHYS,GIESSEN,WEST GERMANY
GRUEN, N
[J].
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS,
1973,
6
(04)
: 601
-
613
[3]
FEENBERG-GOLDHAMMER PROCEDURE AND GEOMETRIC APPROXIMATION IN HARTREE-FOCK PERTURBATION THEORY
AMOS, AT
论文数:
0
引用数:
0
h-index:
0
AMOS, AT
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(02)
: 603
-
&
[4]
Baker A. D., 1968, INT J MASS SPECTROM, V1, P285, DOI DOI 10.1016/0020-7381(68)85005-3
[5]
GROUND (2A1) AND FIRST EXCITED (2B1)PI)) STATES OF CH2+ AND BH2
BENDER, CF
论文数:
0
引用数:
0
h-index:
0
BENDER, CF
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
SCHAEFER, HF
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1971,
37
(03)
: 423
-
&
[6]
PERFLUORO EFFECT IN PHOTOELECTRON SPECTROSCOPY .1. NON-AROMATIC MOLECULES
BRUNDLE, CR
论文数:
0
引用数:
0
h-index:
0
BRUNDLE, CR
BASCH, H
论文数:
0
引用数:
0
h-index:
0
BASCH, H
ROBIN, MB
论文数:
0
引用数:
0
h-index:
0
ROBIN, MB
KEUBLER, NA
论文数:
0
引用数:
0
h-index:
0
KEUBLER, NA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(05)
: 1451
-
&
[7]
ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .3. A HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR N2(X1SIGMAG+) AND N2+(X2SIGMAG+A 2PIU B2SIGMAU+) MOLECULAR IONS
CADE, PE
论文数:
0
引用数:
0
h-index:
0
CADE, PE
SALES, KD
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0
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0
h-index:
0
SALES, KD
WAHL, AC
论文数:
0
引用数:
0
h-index:
0
WAHL, AC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(05)
: 1973
-
&
[8]
CALCULATION OF VERTICAL IONIZATION POTENTIALS OF FORMALDEHYDE BY MEANS OF PERTURBATION THEORY
CEDERBAUM, LS
论文数:
0
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0
h-index:
0
CEDERBAUM, LS
HOHLNEIC.G
论文数:
0
引用数:
0
h-index:
0
HOHLNEIC.G
PEYERIMH.S
论文数:
0
引用数:
0
h-index:
0
PEYERIMH.S
[J].
CHEMICAL PHYSICS LETTERS,
1971,
11
(04)
: 421
-
+
[9]
BREAKDOWN OF KOOPMANS THEOREM FOR NITROGEN
CEDERBAUM, LS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MUNICH, INST PHYS CHEM & ELEKTROCHEM TECH, MUNICH, WEST GERMANY
CEDERBAUM, LS
HOHLNEICHER, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MUNICH, INST PHYS CHEM & ELEKTROCHEM TECH, MUNICH, WEST GERMANY
HOHLNEICHER, G
NIESSEN, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MUNICH, INST PHYS CHEM & ELEKTROCHEM TECH, MUNICH, WEST GERMANY
NIESSEN, W
[J].
CHEMICAL PHYSICS LETTERS,
1973,
18
(04)
: 503
-
508
[10]
CHADWICK D, 1972, ELECTRON SPECTROSCOP
←
1
2
3
4
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6
→
共 58 条
[1]
EXAMPLES OF KNOWN SCF PROCEDURES WHICH DO NOT SATISFY ALL NECESSARY CONDITIONS FOR ENERGY TO BE STATIONARY
ALBAT, R
论文数:
0
引用数:
0
h-index:
0
机构:
JUSTUS LIEBIG UNIV,INST THEORET PHYS,GIESSEN,WEST GERMANY
JUSTUS LIEBIG UNIV,INST THEORET PHYS,GIESSEN,WEST GERMANY
ALBAT, R
GRUEN, N
论文数:
0
引用数:
0
h-index:
0
机构:
JUSTUS LIEBIG UNIV,INST THEORET PHYS,GIESSEN,WEST GERMANY
JUSTUS LIEBIG UNIV,INST THEORET PHYS,GIESSEN,WEST GERMANY
GRUEN, N
[J].
CHEMICAL PHYSICS LETTERS,
1973,
18
(04)
: 572
-
573
[2]
DERIVATION OF GENERAL OPEN-SHELL SCF EQUATIONS FOR ATOMS AND MOLECULES WITH A GREEN-FUNCTION METHOD
ALBAT, R
论文数:
0
引用数:
0
h-index:
0
机构:
JUSTUS LIEBIG UNIV,INST THEORET PHYS,GIESSEN,WEST GERMANY
JUSTUS LIEBIG UNIV,INST THEORET PHYS,GIESSEN,WEST GERMANY
ALBAT, R
GRUEN, N
论文数:
0
引用数:
0
h-index:
0
机构:
JUSTUS LIEBIG UNIV,INST THEORET PHYS,GIESSEN,WEST GERMANY
JUSTUS LIEBIG UNIV,INST THEORET PHYS,GIESSEN,WEST GERMANY
GRUEN, N
[J].
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS,
1973,
6
(04)
: 601
-
613
[3]
FEENBERG-GOLDHAMMER PROCEDURE AND GEOMETRIC APPROXIMATION IN HARTREE-FOCK PERTURBATION THEORY
AMOS, AT
论文数:
0
引用数:
0
h-index:
0
AMOS, AT
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(02)
: 603
-
&
[4]
Baker A. D., 1968, INT J MASS SPECTROM, V1, P285, DOI DOI 10.1016/0020-7381(68)85005-3
[5]
GROUND (2A1) AND FIRST EXCITED (2B1)PI)) STATES OF CH2+ AND BH2
BENDER, CF
论文数:
0
引用数:
0
h-index:
0
BENDER, CF
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
SCHAEFER, HF
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1971,
37
(03)
: 423
-
&
[6]
PERFLUORO EFFECT IN PHOTOELECTRON SPECTROSCOPY .1. NON-AROMATIC MOLECULES
BRUNDLE, CR
论文数:
0
引用数:
0
h-index:
0
BRUNDLE, CR
BASCH, H
论文数:
0
引用数:
0
h-index:
0
BASCH, H
ROBIN, MB
论文数:
0
引用数:
0
h-index:
0
ROBIN, MB
KEUBLER, NA
论文数:
0
引用数:
0
h-index:
0
KEUBLER, NA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(05)
: 1451
-
&
[7]
ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .3. A HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR N2(X1SIGMAG+) AND N2+(X2SIGMAG+A 2PIU B2SIGMAU+) MOLECULAR IONS
CADE, PE
论文数:
0
引用数:
0
h-index:
0
CADE, PE
SALES, KD
论文数:
0
引用数:
0
h-index:
0
SALES, KD
WAHL, AC
论文数:
0
引用数:
0
h-index:
0
WAHL, AC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(05)
: 1973
-
&
[8]
CALCULATION OF VERTICAL IONIZATION POTENTIALS OF FORMALDEHYDE BY MEANS OF PERTURBATION THEORY
CEDERBAUM, LS
论文数:
0
引用数:
0
h-index:
0
CEDERBAUM, LS
HOHLNEIC.G
论文数:
0
引用数:
0
h-index:
0
HOHLNEIC.G
PEYERIMH.S
论文数:
0
引用数:
0
h-index:
0
PEYERIMH.S
[J].
CHEMICAL PHYSICS LETTERS,
1971,
11
(04)
: 421
-
+
[9]
BREAKDOWN OF KOOPMANS THEOREM FOR NITROGEN
CEDERBAUM, LS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MUNICH, INST PHYS CHEM & ELEKTROCHEM TECH, MUNICH, WEST GERMANY
CEDERBAUM, LS
HOHLNEICHER, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MUNICH, INST PHYS CHEM & ELEKTROCHEM TECH, MUNICH, WEST GERMANY
HOHLNEICHER, G
NIESSEN, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MUNICH, INST PHYS CHEM & ELEKTROCHEM TECH, MUNICH, WEST GERMANY
NIESSEN, W
[J].
CHEMICAL PHYSICS LETTERS,
1973,
18
(04)
: 503
-
508
[10]
CHADWICK D, 1972, ELECTRON SPECTROSCOP
←
1
2
3
4
5
6
→