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NEAR HARTREE-FOCK QUALITY GTO BASIS-SETS FOR THE 1ST-ROW AND 3RD-ROW ATOMS
被引:328
作者
:
PARTRIDGE, H
论文数:
0
引用数:
0
h-index:
0
PARTRIDGE, H
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1989年
/ 90卷
/ 02期
关键词
:
D O I
:
10.1063/1.456157
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:1043 / 1047
页数:5
相关论文
共 29 条
[1]
AHLRICHS R, 1981, J CHIM PHYS PCB, V78, P316
[2]
GENERAL CONTRACTION OF GAUSSIAN-BASIS SETS .1. ATOMIC NATURAL ORBITALS FOR 1ST-ROW AND 2ND-ROW ATOMS
ALMLOF, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA,INST SUPERCOMP,MINNEAPOLIS,MN 55455
ALMLOF, J
TAYLOR, PR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA,INST SUPERCOMP,MINNEAPOLIS,MN 55455
TAYLOR, PR
[J].
JOURNAL OF CHEMICAL PHYSICS,
1987,
86
(07)
: 4070
-
4077
[3]
Almlof J., MOLECULE
[4]
THEORETICAL-STUDY OF THE NITROGEN ATOM HYPERFINE COUPLING-CONSTANT
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BRITISH COLUMBIA,DEPT CHEM,VANCOUVER V6T 1Y6,BC,CANADA
UNIV BRITISH COLUMBIA,DEPT CHEM,VANCOUVER V6T 1Y6,BC,CANADA
BAUSCHLICHER, CW
LANGHOFF, SR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BRITISH COLUMBIA,DEPT CHEM,VANCOUVER V6T 1Y6,BC,CANADA
UNIV BRITISH COLUMBIA,DEPT CHEM,VANCOUVER V6T 1Y6,BC,CANADA
LANGHOFF, SR
PARTRIDGE, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BRITISH COLUMBIA,DEPT CHEM,VANCOUVER V6T 1Y6,BC,CANADA
UNIV BRITISH COLUMBIA,DEPT CHEM,VANCOUVER V6T 1Y6,BC,CANADA
PARTRIDGE, H
CHONG, DP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BRITISH COLUMBIA,DEPT CHEM,VANCOUVER V6T 1Y6,BC,CANADA
UNIV BRITISH COLUMBIA,DEPT CHEM,VANCOUVER V6T 1Y6,BC,CANADA
CHONG, DP
[J].
JOURNAL OF CHEMICAL PHYSICS,
1988,
89
(05)
: 2985
-
2992
[5]
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
[6]
HOW IMPORTANT IS CORRELATION IN THE DESCRIPTION OF THE NI-H2O INTERACTION
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
BAUSCHLICHER, CW
[J].
CHEMICAL PHYSICS LETTERS,
1987,
142
(1-2)
: 71
-
75
[7]
THEORETICAL CONFIRMATION OF A DELTA-4 GROUND-STATE FOR FEH
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
BAUSCHLICHER, CW
LANGHOFF, SR
论文数:
0
引用数:
0
h-index:
0
LANGHOFF, SR
[J].
CHEMICAL PHYSICS LETTERS,
1988,
145
(03)
: 205
-
210
[8]
BAUSCHLICHER CW, IN PRESS THEOR CHEM
[9]
THE NI-CO BINDING-ENERGY IN NI(CO) 1-4 - A THEORETICAL INVESTIGATION
BLOMBERG, MRA
论文数:
0
引用数:
0
h-index:
0
机构:
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
BLOMBERG, MRA
BRANDEMARK, UB
论文数:
0
引用数:
0
h-index:
0
机构:
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
BRANDEMARK, UB
SIEGBAHN, PEM
论文数:
0
引用数:
0
h-index:
0
机构:
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
SIEGBAHN, PEM
WENNERBERG, J
论文数:
0
引用数:
0
h-index:
0
机构:
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
WENNERBERG, J
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
BAUSCHLICHER, CW
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1988,
110
(20)
: 6650
-
6655
[10]
Clementi E., 1974, Atomic Data and Nuclear Data Tables, V14, P177, DOI 10.1016/S0092-640X(74)80016-1
←
1
2
3
→
共 29 条
[1]
AHLRICHS R, 1981, J CHIM PHYS PCB, V78, P316
[2]
GENERAL CONTRACTION OF GAUSSIAN-BASIS SETS .1. ATOMIC NATURAL ORBITALS FOR 1ST-ROW AND 2ND-ROW ATOMS
ALMLOF, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA,INST SUPERCOMP,MINNEAPOLIS,MN 55455
ALMLOF, J
TAYLOR, PR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA,INST SUPERCOMP,MINNEAPOLIS,MN 55455
TAYLOR, PR
[J].
JOURNAL OF CHEMICAL PHYSICS,
1987,
86
(07)
: 4070
-
4077
[3]
Almlof J., MOLECULE
[4]
THEORETICAL-STUDY OF THE NITROGEN ATOM HYPERFINE COUPLING-CONSTANT
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BRITISH COLUMBIA,DEPT CHEM,VANCOUVER V6T 1Y6,BC,CANADA
UNIV BRITISH COLUMBIA,DEPT CHEM,VANCOUVER V6T 1Y6,BC,CANADA
BAUSCHLICHER, CW
LANGHOFF, SR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BRITISH COLUMBIA,DEPT CHEM,VANCOUVER V6T 1Y6,BC,CANADA
UNIV BRITISH COLUMBIA,DEPT CHEM,VANCOUVER V6T 1Y6,BC,CANADA
LANGHOFF, SR
PARTRIDGE, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BRITISH COLUMBIA,DEPT CHEM,VANCOUVER V6T 1Y6,BC,CANADA
UNIV BRITISH COLUMBIA,DEPT CHEM,VANCOUVER V6T 1Y6,BC,CANADA
PARTRIDGE, H
CHONG, DP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BRITISH COLUMBIA,DEPT CHEM,VANCOUVER V6T 1Y6,BC,CANADA
UNIV BRITISH COLUMBIA,DEPT CHEM,VANCOUVER V6T 1Y6,BC,CANADA
CHONG, DP
[J].
JOURNAL OF CHEMICAL PHYSICS,
1988,
89
(05)
: 2985
-
2992
[5]
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
[6]
HOW IMPORTANT IS CORRELATION IN THE DESCRIPTION OF THE NI-H2O INTERACTION
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
BAUSCHLICHER, CW
[J].
CHEMICAL PHYSICS LETTERS,
1987,
142
(1-2)
: 71
-
75
[7]
THEORETICAL CONFIRMATION OF A DELTA-4 GROUND-STATE FOR FEH
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
BAUSCHLICHER, CW
LANGHOFF, SR
论文数:
0
引用数:
0
h-index:
0
LANGHOFF, SR
[J].
CHEMICAL PHYSICS LETTERS,
1988,
145
(03)
: 205
-
210
[8]
BAUSCHLICHER CW, IN PRESS THEOR CHEM
[9]
THE NI-CO BINDING-ENERGY IN NI(CO) 1-4 - A THEORETICAL INVESTIGATION
BLOMBERG, MRA
论文数:
0
引用数:
0
h-index:
0
机构:
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
BLOMBERG, MRA
BRANDEMARK, UB
论文数:
0
引用数:
0
h-index:
0
机构:
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
BRANDEMARK, UB
SIEGBAHN, PEM
论文数:
0
引用数:
0
h-index:
0
机构:
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
SIEGBAHN, PEM
WENNERBERG, J
论文数:
0
引用数:
0
h-index:
0
机构:
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
WENNERBERG, J
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
BAUSCHLICHER, CW
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1988,
110
(20)
: 6650
-
6655
[10]
Clementi E., 1974, Atomic Data and Nuclear Data Tables, V14, P177, DOI 10.1016/S0092-640X(74)80016-1
←
1
2
3
→