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LOCAL TREATMENT OF ELECTRON CORRELATION
被引:666
作者
:
SAEBO, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS, DEPT CHEM, FAYETTEVILLE, AR 72701 USA
UNIV ARKANSAS, DEPT CHEM, FAYETTEVILLE, AR 72701 USA
SAEBO, S
[
1
]
PULAY, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS, DEPT CHEM, FAYETTEVILLE, AR 72701 USA
UNIV ARKANSAS, DEPT CHEM, FAYETTEVILLE, AR 72701 USA
PULAY, P
[
1
]
机构
:
[1]
UNIV ARKANSAS, DEPT CHEM, FAYETTEVILLE, AR 72701 USA
来源
:
ANNUAL REVIEW OF PHYSICAL CHEMISTRY
|
1993年
/ 44卷
关键词
:
LOCALIZED ORBITALS;
LOCAL CORRELATION;
PAIR CORRELATION;
PERTURBATION THEORY;
D O I
:
10.1146/annurev.pc.44.100193.001241
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
:
[No abstract available]
引用
收藏
页码:213 / 236
页数:24
相关论文
共 97 条
[71]
THE LOCAL CORRELATION TREATMENT .2. IMPLEMENTATION AND TESTS
SAEBO, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
SAEBO, S
PULAY, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
PULAY, P
[J].
JOURNAL OF CHEMICAL PHYSICS,
1988,
88
(03)
: 1884
-
1890
[72]
STRATEGIES FOR ELECTRON CORRELATION CALCULATIONS ON LARGE MOLECULAR-SYSTEMS
SAEBO, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS,FAYETTEVILLE,AR 72701
UNIV ARKANSAS,FAYETTEVILLE,AR 72701
SAEBO, S
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1992,
42
(01)
: 217
-
239
[73]
AN ELECTRON-RICH, 3-COORDINATED SULFUR ATOM - A CORRELATED ABINITIO STUDY OF 1,6-DIOXA-6A-THIAPENTALENE
SAEBO, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
SAEBO, S
BOGGS, JE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BOGGS, JE
FAN, KN
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
FAN, KN
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1992,
96
(23)
: 9268
-
9278
[74]
METHODS FOR ELECTRON CORRELATION ON LARGE MOLECULES
SAEBO, S
论文数:
0
引用数:
0
h-index:
0
机构:
Chemistry Department, Mississippi State University, Mississippi
SAEBO, S
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1990,
38
(05)
: 641
-
652
[75]
AVOIDING THE INTEGRAL STORAGE BOTTLENECK IN LCAO CALCULATIONS OF ELECTRON CORRELATION
SAEBO, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA,DEPT CHEM,MINNEAPOLIS,MN 55455
SAEBO, S
ALMLOF, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA,DEPT CHEM,MINNEAPOLIS,MN 55455
ALMLOF, J
[J].
CHEMICAL PHYSICS LETTERS,
1989,
154
(01)
: 83
-
89
[76]
LOCAL CONFIGURATION-INTERACTION - AN EFFICIENT APPROACH FOR LARGER MOLECULES
SAEBO, S
论文数:
0
引用数:
0
h-index:
0
SAEBO, S
PULAY, P
论文数:
0
引用数:
0
h-index:
0
PULAY, P
[J].
CHEMICAL PHYSICS LETTERS,
1985,
113
(01)
: 13
-
18
[77]
THE EFFECT OF ELECTRON CORRELATION ON THE TRANS-CIS ENERGY DIFFERENCE OF GLYOXAL
SAEBO, S
论文数:
0
引用数:
0
h-index:
0
SAEBO, S
[J].
CHEMICAL PHYSICS,
1987,
113
(03)
: 383
-
389
[78]
EFFICIENT ELIMINATION OF BASIS SET SUPERPOSITION ERRORS BY THE LOCAL CORRELATION METHOD - ACCURATE ABINITIO STUDIES OF THE WATER DIMER
SAEBO, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS, DEPT CHEM, FAYETTEVILLE, AR 72701 USA
UNIV ARKANSAS, DEPT CHEM, FAYETTEVILLE, AR 72701 USA
SAEBO, S
TONG, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS, DEPT CHEM, FAYETTEVILLE, AR 72701 USA
UNIV ARKANSAS, DEPT CHEM, FAYETTEVILLE, AR 72701 USA
TONG, W
PULAY, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS, DEPT CHEM, FAYETTEVILLE, AR 72701 USA
UNIV ARKANSAS, DEPT CHEM, FAYETTEVILLE, AR 72701 USA
PULAY, P
[J].
JOURNAL OF CHEMICAL PHYSICS,
1993,
98
(03)
: 2170
-
2175
[79]
4TH-ORDER MOLLER-PLESSETT PERTURBATION-THEORY IN THE LOCAL CORRELATION TREATMENT .1. METHOD
SAEBO, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
SAEBO, S
PULAY, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
PULAY, P
[J].
JOURNAL OF CHEMICAL PHYSICS,
1987,
86
(02)
: 914
-
922
[80]
SAEBO S, 1988, J PHYS CHEM-US, V92, P4216
←
1
2
3
4
5
6
7
8
9
10
→
共 97 条
[71]
THE LOCAL CORRELATION TREATMENT .2. IMPLEMENTATION AND TESTS
SAEBO, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
SAEBO, S
PULAY, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
PULAY, P
[J].
JOURNAL OF CHEMICAL PHYSICS,
1988,
88
(03)
: 1884
-
1890
[72]
STRATEGIES FOR ELECTRON CORRELATION CALCULATIONS ON LARGE MOLECULAR-SYSTEMS
SAEBO, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS,FAYETTEVILLE,AR 72701
UNIV ARKANSAS,FAYETTEVILLE,AR 72701
SAEBO, S
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1992,
42
(01)
: 217
-
239
[73]
AN ELECTRON-RICH, 3-COORDINATED SULFUR ATOM - A CORRELATED ABINITIO STUDY OF 1,6-DIOXA-6A-THIAPENTALENE
SAEBO, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
SAEBO, S
BOGGS, JE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BOGGS, JE
FAN, KN
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
FAN, KN
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1992,
96
(23)
: 9268
-
9278
[74]
METHODS FOR ELECTRON CORRELATION ON LARGE MOLECULES
SAEBO, S
论文数:
0
引用数:
0
h-index:
0
机构:
Chemistry Department, Mississippi State University, Mississippi
SAEBO, S
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1990,
38
(05)
: 641
-
652
[75]
AVOIDING THE INTEGRAL STORAGE BOTTLENECK IN LCAO CALCULATIONS OF ELECTRON CORRELATION
SAEBO, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA,DEPT CHEM,MINNEAPOLIS,MN 55455
SAEBO, S
ALMLOF, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA,DEPT CHEM,MINNEAPOLIS,MN 55455
ALMLOF, J
[J].
CHEMICAL PHYSICS LETTERS,
1989,
154
(01)
: 83
-
89
[76]
LOCAL CONFIGURATION-INTERACTION - AN EFFICIENT APPROACH FOR LARGER MOLECULES
SAEBO, S
论文数:
0
引用数:
0
h-index:
0
SAEBO, S
PULAY, P
论文数:
0
引用数:
0
h-index:
0
PULAY, P
[J].
CHEMICAL PHYSICS LETTERS,
1985,
113
(01)
: 13
-
18
[77]
THE EFFECT OF ELECTRON CORRELATION ON THE TRANS-CIS ENERGY DIFFERENCE OF GLYOXAL
SAEBO, S
论文数:
0
引用数:
0
h-index:
0
SAEBO, S
[J].
CHEMICAL PHYSICS,
1987,
113
(03)
: 383
-
389
[78]
EFFICIENT ELIMINATION OF BASIS SET SUPERPOSITION ERRORS BY THE LOCAL CORRELATION METHOD - ACCURATE ABINITIO STUDIES OF THE WATER DIMER
SAEBO, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS, DEPT CHEM, FAYETTEVILLE, AR 72701 USA
UNIV ARKANSAS, DEPT CHEM, FAYETTEVILLE, AR 72701 USA
SAEBO, S
TONG, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS, DEPT CHEM, FAYETTEVILLE, AR 72701 USA
UNIV ARKANSAS, DEPT CHEM, FAYETTEVILLE, AR 72701 USA
TONG, W
PULAY, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS, DEPT CHEM, FAYETTEVILLE, AR 72701 USA
UNIV ARKANSAS, DEPT CHEM, FAYETTEVILLE, AR 72701 USA
PULAY, P
[J].
JOURNAL OF CHEMICAL PHYSICS,
1993,
98
(03)
: 2170
-
2175
[79]
4TH-ORDER MOLLER-PLESSETT PERTURBATION-THEORY IN THE LOCAL CORRELATION TREATMENT .1. METHOD
SAEBO, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
SAEBO, S
PULAY, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
PULAY, P
[J].
JOURNAL OF CHEMICAL PHYSICS,
1987,
86
(02)
: 914
-
922
[80]
SAEBO S, 1988, J PHYS CHEM-US, V92, P4216
←
1
2
3
4
5
6
7
8
9
10
→