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SCF AND CI STUDIES OF HUND RULES FOR THE EFFECTS OF ELECTRONIC CORRELATION AND DELOCALIZATION .1.
被引:10
作者
:
BROWN, RE
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON K7L 3N6,ONTARIO,CANADA
QUEENS UNIV,DEPT CHEM,KINGSTON K7L 3N6,ONTARIO,CANADA
BROWN, RE
[
1
]
COLPA, JP
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON K7L 3N6,ONTARIO,CANADA
QUEENS UNIV,DEPT CHEM,KINGSTON K7L 3N6,ONTARIO,CANADA
COLPA, JP
[
1
]
机构
:
[1]
QUEENS UNIV,DEPT CHEM,KINGSTON K7L 3N6,ONTARIO,CANADA
来源
:
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
|
1983年
/ 24卷
/ 06期
关键词
:
D O I
:
10.1002/qua.560240606
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:593 / 602
页数:10
相关论文
共 23 条
[1]
SINGLET-TRIPLET DIFFERENCES IN LOWEST PI-U STATES OF H2
[J].
COLBOURN, EA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV OXFORD,THEORET CHEM DEPT,1 S PARKS RD,OXFORD,ENGLAND
UNIV OXFORD,THEORET CHEM DEPT,1 S PARKS RD,OXFORD,ENGLAND
COLBOURN, EA
.
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS,
1973,
6
(12)
:2618
-2624
[2]
HUNDS RULE AND Z-EXPANSION FOR ENERGY, ELECTRON REPULSION AND ELECTRON NUCLEAR ATTRACTION
[J].
COLPA, JP
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
COLPA, JP
;
ISLIP, MFJ
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
ISLIP, MFJ
.
MOLECULAR PHYSICS,
1973,
25
(03)
:701
-705
[3]
HUNDS RULES AND INTERPRETATION AND COMMON MISINTERPRETATION OF ENERGY DIFFERENCES
[J].
COLPA, JP
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
COLPA, JP
;
BROWN, RE
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
BROWN, RE
.
MOLECULAR PHYSICS,
1973,
26
(06)
:1453
-1463
[4]
INEQUALITY FORMULATION OF HUNDS RULE AND A REINTERPRETATION OF SINGLET-TRIPLET ENERGY DIFFERENCES, GENERALIZED FOR MOLECULES AT EQUILIBRIUM GEOMETRY
[J].
COLPA, JP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ESTADUAL CAMPINAS,INST QUIM,CAMPINAS,SP,BRAZIL
UNIV ESTADUAL CAMPINAS,INST QUIM,CAMPINAS,SP,BRAZIL
COLPA, JP
;
BROWN, RE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ESTADUAL CAMPINAS,INST QUIM,CAMPINAS,SP,BRAZIL
UNIV ESTADUAL CAMPINAS,INST QUIM,CAMPINAS,SP,BRAZIL
BROWN, RE
.
JOURNAL OF CHEMICAL PHYSICS,
1978,
68
(09)
:4248
-4251
[5]
HUNDS RULES REFORMULATED AS INEQUALITIES AND SOME RELATED INEQUALITIES FOR EXCHANGE INTEGRALS, SLATER-CONDON PARAMETERS ENERGY DIFFERENCES AND CORRELATION ENERGIES
[J].
COLPA, JP
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
COLPA, JP
.
MOLECULAR PHYSICS,
1974,
28
(02)
:581
-585
[6]
COLPA JP, 1975, MOL PHYS, V29, P1861, DOI 10.1080/00268977500101631
[7]
SINGLE-CONFIGURATION CALCULATIONS ON EXCITED STATES OF HELIUM .2.
[J].
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
DAVIDSON, ER
.
JOURNAL OF CHEMICAL PHYSICS,
1965,
42
(12)
:4199
-&
[8]
COMMENTS ON ANALYSIS OF ATOMIC CORRELATION ENERGIES
[J].
GRUNINGER, J
论文数:
0
引用数:
0
h-index:
0
GRUNINGER, J
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(11)
:5551
-+
[9]
A simple demonstration of the origin of Hund's rule for the helium 2S and 2P states
[J].
Harcourt, R. D.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Melbourne, Dept Chem, Parkville, Vic 3052, Australia
Univ Melbourne, Dept Chem, Parkville, Vic 3052, Australia
Harcourt, R. D.
;
Harcourt, Alison
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Melbourne, Dept Chem, Parkville, Vic 3052, Australia
Harcourt, Alison
.
CHEMICAL PHYSICS,
1973,
1
(03)
:238
-243
[10]
GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I.
[J].
HUZINAGA, S
论文数:
0
引用数:
0
h-index:
0
HUZINAGA, S
.
JOURNAL OF CHEMICAL PHYSICS,
1965,
42
(04)
:1293
-&
←
1
2
3
→
共 23 条
[1]
SINGLET-TRIPLET DIFFERENCES IN LOWEST PI-U STATES OF H2
[J].
COLBOURN, EA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV OXFORD,THEORET CHEM DEPT,1 S PARKS RD,OXFORD,ENGLAND
UNIV OXFORD,THEORET CHEM DEPT,1 S PARKS RD,OXFORD,ENGLAND
COLBOURN, EA
.
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS,
1973,
6
(12)
:2618
-2624
[2]
HUNDS RULE AND Z-EXPANSION FOR ENERGY, ELECTRON REPULSION AND ELECTRON NUCLEAR ATTRACTION
[J].
COLPA, JP
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
COLPA, JP
;
ISLIP, MFJ
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
ISLIP, MFJ
.
MOLECULAR PHYSICS,
1973,
25
(03)
:701
-705
[3]
HUNDS RULES AND INTERPRETATION AND COMMON MISINTERPRETATION OF ENERGY DIFFERENCES
[J].
COLPA, JP
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
COLPA, JP
;
BROWN, RE
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
BROWN, RE
.
MOLECULAR PHYSICS,
1973,
26
(06)
:1453
-1463
[4]
INEQUALITY FORMULATION OF HUNDS RULE AND A REINTERPRETATION OF SINGLET-TRIPLET ENERGY DIFFERENCES, GENERALIZED FOR MOLECULES AT EQUILIBRIUM GEOMETRY
[J].
COLPA, JP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ESTADUAL CAMPINAS,INST QUIM,CAMPINAS,SP,BRAZIL
UNIV ESTADUAL CAMPINAS,INST QUIM,CAMPINAS,SP,BRAZIL
COLPA, JP
;
BROWN, RE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ESTADUAL CAMPINAS,INST QUIM,CAMPINAS,SP,BRAZIL
UNIV ESTADUAL CAMPINAS,INST QUIM,CAMPINAS,SP,BRAZIL
BROWN, RE
.
JOURNAL OF CHEMICAL PHYSICS,
1978,
68
(09)
:4248
-4251
[5]
HUNDS RULES REFORMULATED AS INEQUALITIES AND SOME RELATED INEQUALITIES FOR EXCHANGE INTEGRALS, SLATER-CONDON PARAMETERS ENERGY DIFFERENCES AND CORRELATION ENERGIES
[J].
COLPA, JP
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
COLPA, JP
.
MOLECULAR PHYSICS,
1974,
28
(02)
:581
-585
[6]
COLPA JP, 1975, MOL PHYS, V29, P1861, DOI 10.1080/00268977500101631
[7]
SINGLE-CONFIGURATION CALCULATIONS ON EXCITED STATES OF HELIUM .2.
[J].
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
DAVIDSON, ER
.
JOURNAL OF CHEMICAL PHYSICS,
1965,
42
(12)
:4199
-&
[8]
COMMENTS ON ANALYSIS OF ATOMIC CORRELATION ENERGIES
[J].
GRUNINGER, J
论文数:
0
引用数:
0
h-index:
0
GRUNINGER, J
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(11)
:5551
-+
[9]
A simple demonstration of the origin of Hund's rule for the helium 2S and 2P states
[J].
Harcourt, R. D.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Melbourne, Dept Chem, Parkville, Vic 3052, Australia
Univ Melbourne, Dept Chem, Parkville, Vic 3052, Australia
Harcourt, R. D.
;
Harcourt, Alison
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Melbourne, Dept Chem, Parkville, Vic 3052, Australia
Harcourt, Alison
.
CHEMICAL PHYSICS,
1973,
1
(03)
:238
-243
[10]
GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I.
[J].
HUZINAGA, S
论文数:
0
引用数:
0
h-index:
0
HUZINAGA, S
.
JOURNAL OF CHEMICAL PHYSICS,
1965,
42
(04)
:1293
-&
←
1
2
3
→