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A FULL CL TREATMENT OF THE 1A1-3B1 SEPARATION IN METHYLENE
被引:225
作者
:
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
ELORET INST,SUNNYVALE,CA 94087
ELORET INST,SUNNYVALE,CA 94087
BAUSCHLICHER, CW
[
1
]
TAYLOR, PR
论文数:
0
引用数:
0
h-index:
0
机构:
ELORET INST,SUNNYVALE,CA 94087
ELORET INST,SUNNYVALE,CA 94087
TAYLOR, PR
[
1
]
机构
:
[1]
ELORET INST,SUNNYVALE,CA 94087
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1986年
/ 85卷
/ 11期
关键词
:
D O I
:
10.1063/1.451431
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:6510 / 6512
页数:3
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THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL
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EHRHARDT, C
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
82
(02)
: 890
-
898
[2]
BENCHMARK FULL CONFIGURATION-INTERACTION CALCULATIONS ON H2O, F, AND F-
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ELORET INST,SUNNYVALE,CA 94087
ELORET INST,SUNNYVALE,CA 94087
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TAYLOR, PR
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0
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机构:
ELORET INST,SUNNYVALE,CA 94087
ELORET INST,SUNNYVALE,CA 94087
TAYLOR, PR
[J].
JOURNAL OF CHEMICAL PHYSICS,
1986,
85
(05)
: 2779
-
2783
[3]
ACCURATE ABINITIO CALCULATIONS ON SINGLET-TRIPLET SEPARATION IN METHYLENE
BAUSCHLICHER, CW
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OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
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OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
SHAVITT, I
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(03)
: 739
-
743
[4]
BAUSCHLICHER CW, 1986, J CHEM PHYS, V85, P1496
[5]
BAUSCHLICHER CW, J CHEM PHYS
[6]
CARTER EA, 1986 W COAST THEOR C
[7]
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1970,
53
(07)
: 2823
-
+
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THEORETICAL CHEMISTRY COMES ALIVE - FULL PARTNER WITH EXPERIMENT
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[J].
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1985,
227
(4689)
: 917
-
923
[9]
GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I.
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[J].
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A NEW DETERMINANT-BASED FULL CONFIGURATION-INTERACTION METHOD
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[J].
CHEMICAL PHYSICS LETTERS,
1984,
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: 315
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←
1
2
→
共 19 条
[1]
THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
AHLRICHS, R
SCHARF, P
论文数:
0
引用数:
0
h-index:
0
SCHARF, P
EHRHARDT, C
论文数:
0
引用数:
0
h-index:
0
EHRHARDT, C
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
82
(02)
: 890
-
898
[2]
BENCHMARK FULL CONFIGURATION-INTERACTION CALCULATIONS ON H2O, F, AND F-
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
ELORET INST,SUNNYVALE,CA 94087
ELORET INST,SUNNYVALE,CA 94087
BAUSCHLICHER, CW
TAYLOR, PR
论文数:
0
引用数:
0
h-index:
0
机构:
ELORET INST,SUNNYVALE,CA 94087
ELORET INST,SUNNYVALE,CA 94087
TAYLOR, PR
[J].
JOURNAL OF CHEMICAL PHYSICS,
1986,
85
(05)
: 2779
-
2783
[3]
ACCURATE ABINITIO CALCULATIONS ON SINGLET-TRIPLET SEPARATION IN METHYLENE
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
BAUSCHLICHER, CW
SHAVITT, I
论文数:
0
引用数:
0
h-index:
0
机构:
OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
SHAVITT, I
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(03)
: 739
-
743
[4]
BAUSCHLICHER CW, 1986, J CHEM PHYS, V85, P1496
[5]
BAUSCHLICHER CW, J CHEM PHYS
[6]
CARTER EA, 1986 W COAST THEOR C
[7]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
: 2823
-
+
[8]
THEORETICAL CHEMISTRY COMES ALIVE - FULL PARTNER WITH EXPERIMENT
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
GODDARD, WA
[J].
SCIENCE,
1985,
227
(4689)
: 917
-
923
[9]
GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I.
HUZINAGA, S
论文数:
0
引用数:
0
h-index:
0
HUZINAGA, S
[J].
JOURNAL OF CHEMICAL PHYSICS,
1965,
42
(04)
: 1293
-
&
[10]
A NEW DETERMINANT-BASED FULL CONFIGURATION-INTERACTION METHOD
KNOWLES, PJ
论文数:
0
引用数:
0
h-index:
0
KNOWLES, PJ
HANDY, NC
论文数:
0
引用数:
0
h-index:
0
HANDY, NC
[J].
CHEMICAL PHYSICS LETTERS,
1984,
111
(4-5)
: 315
-
321
←
1
2
→