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CORRELATION EFFECTS IN LOW-LYING EXCITED-STATES OF PPP MODELS OF ALTERNANT HYDROCARBONS .1. QUALITATIVE RULES FOR EFFECT OF LIMITED CONFIGURATION INTERACTION
被引:111
作者
:
CIZEK, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WATERLOO,FAC SCI,DEPT CHEM,WATERLOO N2L 3G1,ONTARIO,CANADA
CIZEK, J
论文数:
引用数:
h-index:
机构:
PALDUS, J
HUBAC, I
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WATERLOO,FAC SCI,DEPT CHEM,WATERLOO N2L 3G1,ONTARIO,CANADA
HUBAC, I
机构
:
[1]
UNIV WATERLOO,FAC SCI,DEPT CHEM,WATERLOO N2L 3G1,ONTARIO,CANADA
[2]
UNIV WATERLOO,FAC MATH,DEPT APPL MATH,QUANTUM THEORY GRP,WATERLOO N2L 3G1,ONTARIO,CANADA
来源
:
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
|
1974年
/ 8卷
/ 06期
关键词
:
D O I
:
10.1002/qua.560080610
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:951 / 970
页数:20
相关论文
共 41 条
[31]
STABILITY CONDITIONS FOR SOLUTIONS OF HARTREE-FOCK EQUATIONS FOR ATOMIC AND MOLECULAR SYSTEMS .2. SIMPLE OPEN-SHELL CASE
PALDUS, J
论文数:
0
引用数:
0
h-index:
0
PALDUS, J
CIZEK, J
论文数:
0
引用数:
0
h-index:
0
CIZEK, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(06)
: 2919
-
&
[32]
THEORY OF THE ELECTRONIC SPECTRA AND STRUCTURE OF THE POLYACENES AND OF ALTERNANT HYDROCARBONS
PARISER, R
论文数:
0
引用数:
0
h-index:
0
PARISER, R
[J].
JOURNAL OF CHEMICAL PHYSICS,
1956,
24
(02)
: 250
-
268
[33]
A SEMI-EMPIRICAL THEORY OF THE ELECTRONIC SPECTRA AND ELECTRONIC STRUCTURE OF COMPLEX UNSATURATED MOLECULES .1.
PARISER, R
论文数:
0
引用数:
0
h-index:
0
PARISER, R
PARR, RG
论文数:
0
引用数:
0
h-index:
0
PARR, RG
[J].
JOURNAL OF CHEMICAL PHYSICS,
1953,
21
(03)
: 466
-
471
[34]
A SEMI-EMPIRICAL THEORY OF THE ELECTRONIC SPECTRA AND ELECTRONIC STRUCTURE OF COMPLEX UNSATURATED MOLECULES .2.
PARISER, R
论文数:
0
引用数:
0
h-index:
0
PARISER, R
PARR, RG
论文数:
0
引用数:
0
h-index:
0
PARR, RG
[J].
JOURNAL OF CHEMICAL PHYSICS,
1953,
21
(05)
: 767
-
776
[35]
PARR RG, 1963, QUANTUM THEORY MOLEC
[36]
ELECTRON INTERACTION IN UNSATURATED HYDROCARBONS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
TRANSACTIONS OF THE FARADAY SOCIETY,
1953,
49
(12):
: 1375
-
1385
[37]
ORIGIN OF A LOW-LYING FORBIDDEN TRANSITION IN POLYENES AND RELATED MOLECULES
SCHULTEN, K
论文数:
0
引用数:
0
h-index:
0
SCHULTEN, K
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
KARPLUS, M
[J].
CHEMICAL PHYSICS LETTERS,
1972,
14
(03)
: 305
-
&
[38]
SYMMETRY CONTROL AND PHOTOINDUCED REACTIONS
VANDERLU.WT
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Theoretical Organic Chemistry, University of Leiden, Leiden
VANDERLU.WT
OOSTERHO.LJ
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Theoretical Organic Chemistry, University of Leiden, Leiden
OOSTERHO.LJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1969,
91
(22)
: 6042
-
+
[39]
EXACT SOLUTION OF 1-BAND PI-ELECTRON THEORY OF BENZENE
VISSCHER, PB
论文数:
0
引用数:
0
h-index:
0
VISSCHER, PB
FALICOV, LM
论文数:
0
引用数:
0
h-index:
0
FALICOV, LM
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(08)
: 4217
-
&
[40]
VIBRATIONAL STRUCTURE OF ELECTRONIC TRANSITIONS IN CONJUGATED MOLECULES
WARSHEL, A
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
WARSHEL, A
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
KARPLUS, M
[J].
CHEMICAL PHYSICS LETTERS,
1972,
17
(01)
: 7
-
14
←
1
2
3
4
5
→
共 41 条
[31]
STABILITY CONDITIONS FOR SOLUTIONS OF HARTREE-FOCK EQUATIONS FOR ATOMIC AND MOLECULAR SYSTEMS .2. SIMPLE OPEN-SHELL CASE
PALDUS, J
论文数:
0
引用数:
0
h-index:
0
PALDUS, J
CIZEK, J
论文数:
0
引用数:
0
h-index:
0
CIZEK, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(06)
: 2919
-
&
[32]
THEORY OF THE ELECTRONIC SPECTRA AND STRUCTURE OF THE POLYACENES AND OF ALTERNANT HYDROCARBONS
PARISER, R
论文数:
0
引用数:
0
h-index:
0
PARISER, R
[J].
JOURNAL OF CHEMICAL PHYSICS,
1956,
24
(02)
: 250
-
268
[33]
A SEMI-EMPIRICAL THEORY OF THE ELECTRONIC SPECTRA AND ELECTRONIC STRUCTURE OF COMPLEX UNSATURATED MOLECULES .1.
PARISER, R
论文数:
0
引用数:
0
h-index:
0
PARISER, R
PARR, RG
论文数:
0
引用数:
0
h-index:
0
PARR, RG
[J].
JOURNAL OF CHEMICAL PHYSICS,
1953,
21
(03)
: 466
-
471
[34]
A SEMI-EMPIRICAL THEORY OF THE ELECTRONIC SPECTRA AND ELECTRONIC STRUCTURE OF COMPLEX UNSATURATED MOLECULES .2.
PARISER, R
论文数:
0
引用数:
0
h-index:
0
PARISER, R
PARR, RG
论文数:
0
引用数:
0
h-index:
0
PARR, RG
[J].
JOURNAL OF CHEMICAL PHYSICS,
1953,
21
(05)
: 767
-
776
[35]
PARR RG, 1963, QUANTUM THEORY MOLEC
[36]
ELECTRON INTERACTION IN UNSATURATED HYDROCARBONS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
TRANSACTIONS OF THE FARADAY SOCIETY,
1953,
49
(12):
: 1375
-
1385
[37]
ORIGIN OF A LOW-LYING FORBIDDEN TRANSITION IN POLYENES AND RELATED MOLECULES
SCHULTEN, K
论文数:
0
引用数:
0
h-index:
0
SCHULTEN, K
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
KARPLUS, M
[J].
CHEMICAL PHYSICS LETTERS,
1972,
14
(03)
: 305
-
&
[38]
SYMMETRY CONTROL AND PHOTOINDUCED REACTIONS
VANDERLU.WT
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Theoretical Organic Chemistry, University of Leiden, Leiden
VANDERLU.WT
OOSTERHO.LJ
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Theoretical Organic Chemistry, University of Leiden, Leiden
OOSTERHO.LJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1969,
91
(22)
: 6042
-
+
[39]
EXACT SOLUTION OF 1-BAND PI-ELECTRON THEORY OF BENZENE
VISSCHER, PB
论文数:
0
引用数:
0
h-index:
0
VISSCHER, PB
FALICOV, LM
论文数:
0
引用数:
0
h-index:
0
FALICOV, LM
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(08)
: 4217
-
&
[40]
VIBRATIONAL STRUCTURE OF ELECTRONIC TRANSITIONS IN CONJUGATED MOLECULES
WARSHEL, A
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
WARSHEL, A
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
KARPLUS, M
[J].
CHEMICAL PHYSICS LETTERS,
1972,
17
(01)
: 7
-
14
←
1
2
3
4
5
→