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PRACTICAL VALENCE-BOND CALCULATIONS
被引:96
作者
:
GALLUP, GA
论文数:
0
引用数:
0
h-index:
0
GALLUP, GA
VANCE, RL
论文数:
0
引用数:
0
h-index:
0
VANCE, RL
COLLINS, JR
论文数:
0
引用数:
0
h-index:
0
COLLINS, JR
NORBECK, JM
论文数:
0
引用数:
0
h-index:
0
NORBECK, JM
机构
:
来源
:
ADVANCES IN QUANTUM CHEMISTRY
|
1982年
/ 16卷
关键词
:
D O I
:
10.1016/S0065-3276(08)60354-8
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:229 / 272
页数:44
相关论文
共 77 条
[1]
[Anonymous], 1944, QUANTUM CHEM
[2]
BALINTKURTI GG, 1968, J CHEM PHYS, V50, P478
[3]
BALINTKURTI GG, 1974, ORBITAL THEORIES MOL
[4]
AB INITIO SCF MO AND CI STUDIES OF ELECTRONIC STATES OF BUTADIENE
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
BUENKER, RJ
WHITTEN, JL
论文数:
0
引用数:
0
h-index:
0
WHITTEN, JL
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(12)
: 5381
-
&
[5]
DECOMPOSITION OF A PROJECTED SLATER DETERMINANT INTO ITS VALENCE-BOND COMPONENTS
CANTU, AA
论文数:
0
引用数:
0
h-index:
0
CANTU, AA
[J].
MOLECULAR PHYSICS,
1970,
19
(01)
: 1
-
&
[6]
STUDIES IN CONFIGURATION INTERACTION .I. MATRIX ELEMENTS BETWEEN SPIN-COUPLED FUNCTIONS
COOPER, IL
论文数:
0
引用数:
0
h-index:
0
COOPER, IL
MCWEENY, R
论文数:
0
引用数:
0
h-index:
0
MCWEENY, R
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
45
(01)
: 226
-
&
[7]
ITERATIVE CALCULATION OF A FEW OF LOWEST EIGENVALUES AND CORRESPONDING EIGENVECTORS OF LARGE REAL-SYMMETRIC MATRICES
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,505 KING AVE,COLUMBUS,OH 43220
BATTELLE MEM INST,505 KING AVE,COLUMBUS,OH 43220
DAVIDSON, ER
[J].
JOURNAL OF COMPUTATIONAL PHYSICS,
1975,
17
(01)
: 87
-
94
[8]
ELECTRON-IMPACT STUDY OF THE ENERGY-LEVELS OF TRANS-1,3-BUTADIENE
DOERING, JP
论文数:
0
引用数:
0
h-index:
0
DOERING, JP
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
70
(08)
: 3902
-
3909
[9]
PROJECTED HARTREE PRODUCT WAVEFUNCTIONS
GALLUP, GA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Nebraska, Lincoln, NE
GALLUP, GA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
48
(04)
: 1752
-
&
[10]
VALENCE-BOND CALCULATION OF ELECTRONIC-STRUCTURES FOR C5H5+, C5H5-, C7H7+, AND C7H7- IN SYMMETRIC CONFIGURATIONS
GALLUP, GA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEBRASKA,DEPT CHEM,LINCOLN,NB 68508
UNIV NEBRASKA,DEPT CHEM,LINCOLN,NB 68508
GALLUP, GA
NORBECK, JM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEBRASKA,DEPT CHEM,LINCOLN,NB 68508
UNIV NEBRASKA,DEPT CHEM,LINCOLN,NB 68508
NORBECK, JM
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(05)
: 970
-
972
←
1
2
3
4
5
6
7
8
→
共 77 条
[1]
[Anonymous], 1944, QUANTUM CHEM
[2]
BALINTKURTI GG, 1968, J CHEM PHYS, V50, P478
[3]
BALINTKURTI GG, 1974, ORBITAL THEORIES MOL
[4]
AB INITIO SCF MO AND CI STUDIES OF ELECTRONIC STATES OF BUTADIENE
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
BUENKER, RJ
WHITTEN, JL
论文数:
0
引用数:
0
h-index:
0
WHITTEN, JL
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(12)
: 5381
-
&
[5]
DECOMPOSITION OF A PROJECTED SLATER DETERMINANT INTO ITS VALENCE-BOND COMPONENTS
CANTU, AA
论文数:
0
引用数:
0
h-index:
0
CANTU, AA
[J].
MOLECULAR PHYSICS,
1970,
19
(01)
: 1
-
&
[6]
STUDIES IN CONFIGURATION INTERACTION .I. MATRIX ELEMENTS BETWEEN SPIN-COUPLED FUNCTIONS
COOPER, IL
论文数:
0
引用数:
0
h-index:
0
COOPER, IL
MCWEENY, R
论文数:
0
引用数:
0
h-index:
0
MCWEENY, R
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
45
(01)
: 226
-
&
[7]
ITERATIVE CALCULATION OF A FEW OF LOWEST EIGENVALUES AND CORRESPONDING EIGENVECTORS OF LARGE REAL-SYMMETRIC MATRICES
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,505 KING AVE,COLUMBUS,OH 43220
BATTELLE MEM INST,505 KING AVE,COLUMBUS,OH 43220
DAVIDSON, ER
[J].
JOURNAL OF COMPUTATIONAL PHYSICS,
1975,
17
(01)
: 87
-
94
[8]
ELECTRON-IMPACT STUDY OF THE ENERGY-LEVELS OF TRANS-1,3-BUTADIENE
DOERING, JP
论文数:
0
引用数:
0
h-index:
0
DOERING, JP
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
70
(08)
: 3902
-
3909
[9]
PROJECTED HARTREE PRODUCT WAVEFUNCTIONS
GALLUP, GA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Nebraska, Lincoln, NE
GALLUP, GA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
48
(04)
: 1752
-
&
[10]
VALENCE-BOND CALCULATION OF ELECTRONIC-STRUCTURES FOR C5H5+, C5H5-, C7H7+, AND C7H7- IN SYMMETRIC CONFIGURATIONS
GALLUP, GA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEBRASKA,DEPT CHEM,LINCOLN,NB 68508
UNIV NEBRASKA,DEPT CHEM,LINCOLN,NB 68508
GALLUP, GA
NORBECK, JM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEBRASKA,DEPT CHEM,LINCOLN,NB 68508
UNIV NEBRASKA,DEPT CHEM,LINCOLN,NB 68508
NORBECK, JM
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(05)
: 970
-
972
←
1
2
3
4
5
6
7
8
→