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ELECTRONIC-STRUCTURE OF POLYATOMIC SYSTEMS DETERMINED WITH 1ST-ORDER CORRELATION ORBITALS - VERY ACCURATE CALCULATIONS ON 10-ELECTRON MOLECULES
被引:24
作者
:
ADAMOWICZ, L
论文数:
0
引用数:
0
h-index:
0
ADAMOWICZ, L
机构
:
来源
:
JOURNAL OF PHYSICAL CHEMISTRY
|
1989年
/ 93卷
/ 05期
关键词
:
D O I
:
10.1021/j100342a020
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:1780 / 1784
页数:5
相关论文
共 35 条
[1]
OPTIMIZED VIRTUAL ORBITAL SPACE FOR HIGH-LEVEL CORRELATED CALCULATIONS .2. ELECTRIC PROPERTIES
ADAMOWICZ, L
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,DEPT CHEM,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
ADAMOWICZ, L
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,DEPT CHEM,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
BARTLETT, RJ
SADLEJ, AJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,DEPT CHEM,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
SADLEJ, AJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1988,
88
(09)
: 5749
-
5758
[2]
ACCURATE NUMERICAL ORBITAL MBPT/CC STUDY OF THE ELECTRON-AFFINITY OF FLUORINE AND THE DISSOCIATION-ENERGY OF HYDROGEN-FLUORIDE
ADAMOWICZ, L
论文数:
0
引用数:
0
h-index:
0
ADAMOWICZ, L
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
BARTLETT, RJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1986,
84
(12)
: 6837
-
6839
[3]
TOWARDS NUMERICAL-SOLUTIONS OF THE SCHRODINGER-EQUATION FOR DIATOMIC-MOLECULES
ADAMOWICZ, L
论文数:
0
引用数:
0
h-index:
0
机构:
UTAH STATE UNIV, DEPT CHEM & BIOCHEM, LOGAN, UT 84322 USA
UTAH STATE UNIV, DEPT CHEM & BIOCHEM, LOGAN, UT 84322 USA
ADAMOWICZ, L
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UTAH STATE UNIV, DEPT CHEM & BIOCHEM, LOGAN, UT 84322 USA
UTAH STATE UNIV, DEPT CHEM & BIOCHEM, LOGAN, UT 84322 USA
BARTLETT, RJ
MCCULLOUGH, EA
论文数:
0
引用数:
0
h-index:
0
机构:
UTAH STATE UNIV, DEPT CHEM & BIOCHEM, LOGAN, UT 84322 USA
UTAH STATE UNIV, DEPT CHEM & BIOCHEM, LOGAN, UT 84322 USA
MCCULLOUGH, EA
[J].
PHYSICAL REVIEW LETTERS,
1985,
54
(05)
: 426
-
429
[4]
VERY ACCURATE CORRELATED CALCULATIONS ON DIATOMIC-MOLECULES WITH NUMERICAL ORBITALS - THE HYDROGEN-FLUORIDE MOLECULE
ADAMOWICZ, L
论文数:
0
引用数:
0
h-index:
0
ADAMOWICZ, L
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
BARTLETT, RJ
[J].
PHYSICAL REVIEW A,
1988,
37
(01):
: 1
-
5
[5]
OPTIMIZED VIRTUAL ORBITAL SPACE FOR HIGH-LEVEL CORRELATED CALCULATIONS
ADAMOWICZ, L
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA, DEPT CHEM, GAINESVILLE, FL 32611 USA
ADAMOWICZ, L
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA, DEPT CHEM, GAINESVILLE, FL 32611 USA
BARTLETT, RJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1987,
86
(11)
: 6314
-
6324
[6]
COUPLED CLUSTER CALCULATIONS WITH NUMERICAL ORBITALS FOR EXCITED-STATES OF POLAR ANIONS
ADAMOWICZ, L
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
UNIV FLORIDA,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
ADAMOWICZ, L
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
UNIV FLORIDA,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
BARTLETT, RJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
83
(12)
: 6268
-
6279
[7]
PRINCIPLES FOR A DIRECT SCF APPROACH TO LCAO-MO ABINITIO CALCULATIONS
ALMLOF, J
论文数:
0
引用数:
0
h-index:
0
ALMLOF, J
FAEGRI, K
论文数:
0
引用数:
0
h-index:
0
FAEGRI, K
KORSELL, K
论文数:
0
引用数:
0
h-index:
0
KORSELL, K
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1982,
3
(03)
: 385
-
399
[8]
Bartlett R. J., 1974, INT J QUANTUM CHEM S, V8, P271
[9]
MANY-BODY PERTURBATION-THEORY APPLIED TO HYDROGEN-FLUORIDE
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
JOHNS HOPKINS UNIV,DEPT CHEM,BALTIMORE,MD 21218
BARTLETT, RJ
SILVER, DM
论文数:
0
引用数:
0
h-index:
0
机构:
JOHNS HOPKINS UNIV,DEPT CHEM,BALTIMORE,MD 21218
SILVER, DM
[J].
CHEMICAL PHYSICS LETTERS,
1974,
29
(02)
: 199
-
203
[10]
MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER THEORY FOR ELECTRON CORRELATION IN MOLECULES
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, COLUMBUS, OH 43201 USA
BATTELLE MEM INST, COLUMBUS, OH 43201 USA
BARTLETT, RJ
[J].
ANNUAL REVIEW OF PHYSICAL CHEMISTRY,
1981,
32
: 359
-
401
←
1
2
3
4
→
共 35 条
[1]
OPTIMIZED VIRTUAL ORBITAL SPACE FOR HIGH-LEVEL CORRELATED CALCULATIONS .2. ELECTRIC PROPERTIES
ADAMOWICZ, L
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,DEPT CHEM,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
ADAMOWICZ, L
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,DEPT CHEM,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
BARTLETT, RJ
SADLEJ, AJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,DEPT CHEM,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
SADLEJ, AJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1988,
88
(09)
: 5749
-
5758
[2]
ACCURATE NUMERICAL ORBITAL MBPT/CC STUDY OF THE ELECTRON-AFFINITY OF FLUORINE AND THE DISSOCIATION-ENERGY OF HYDROGEN-FLUORIDE
ADAMOWICZ, L
论文数:
0
引用数:
0
h-index:
0
ADAMOWICZ, L
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
BARTLETT, RJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1986,
84
(12)
: 6837
-
6839
[3]
TOWARDS NUMERICAL-SOLUTIONS OF THE SCHRODINGER-EQUATION FOR DIATOMIC-MOLECULES
ADAMOWICZ, L
论文数:
0
引用数:
0
h-index:
0
机构:
UTAH STATE UNIV, DEPT CHEM & BIOCHEM, LOGAN, UT 84322 USA
UTAH STATE UNIV, DEPT CHEM & BIOCHEM, LOGAN, UT 84322 USA
ADAMOWICZ, L
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UTAH STATE UNIV, DEPT CHEM & BIOCHEM, LOGAN, UT 84322 USA
UTAH STATE UNIV, DEPT CHEM & BIOCHEM, LOGAN, UT 84322 USA
BARTLETT, RJ
MCCULLOUGH, EA
论文数:
0
引用数:
0
h-index:
0
机构:
UTAH STATE UNIV, DEPT CHEM & BIOCHEM, LOGAN, UT 84322 USA
UTAH STATE UNIV, DEPT CHEM & BIOCHEM, LOGAN, UT 84322 USA
MCCULLOUGH, EA
[J].
PHYSICAL REVIEW LETTERS,
1985,
54
(05)
: 426
-
429
[4]
VERY ACCURATE CORRELATED CALCULATIONS ON DIATOMIC-MOLECULES WITH NUMERICAL ORBITALS - THE HYDROGEN-FLUORIDE MOLECULE
ADAMOWICZ, L
论文数:
0
引用数:
0
h-index:
0
ADAMOWICZ, L
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
BARTLETT, RJ
[J].
PHYSICAL REVIEW A,
1988,
37
(01):
: 1
-
5
[5]
OPTIMIZED VIRTUAL ORBITAL SPACE FOR HIGH-LEVEL CORRELATED CALCULATIONS
ADAMOWICZ, L
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA, DEPT CHEM, GAINESVILLE, FL 32611 USA
ADAMOWICZ, L
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA, DEPT CHEM, GAINESVILLE, FL 32611 USA
BARTLETT, RJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1987,
86
(11)
: 6314
-
6324
[6]
COUPLED CLUSTER CALCULATIONS WITH NUMERICAL ORBITALS FOR EXCITED-STATES OF POLAR ANIONS
ADAMOWICZ, L
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
UNIV FLORIDA,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
ADAMOWICZ, L
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
UNIV FLORIDA,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
BARTLETT, RJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
83
(12)
: 6268
-
6279
[7]
PRINCIPLES FOR A DIRECT SCF APPROACH TO LCAO-MO ABINITIO CALCULATIONS
ALMLOF, J
论文数:
0
引用数:
0
h-index:
0
ALMLOF, J
FAEGRI, K
论文数:
0
引用数:
0
h-index:
0
FAEGRI, K
KORSELL, K
论文数:
0
引用数:
0
h-index:
0
KORSELL, K
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1982,
3
(03)
: 385
-
399
[8]
Bartlett R. J., 1974, INT J QUANTUM CHEM S, V8, P271
[9]
MANY-BODY PERTURBATION-THEORY APPLIED TO HYDROGEN-FLUORIDE
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
JOHNS HOPKINS UNIV,DEPT CHEM,BALTIMORE,MD 21218
BARTLETT, RJ
SILVER, DM
论文数:
0
引用数:
0
h-index:
0
机构:
JOHNS HOPKINS UNIV,DEPT CHEM,BALTIMORE,MD 21218
SILVER, DM
[J].
CHEMICAL PHYSICS LETTERS,
1974,
29
(02)
: 199
-
203
[10]
MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER THEORY FOR ELECTRON CORRELATION IN MOLECULES
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, COLUMBUS, OH 43201 USA
BATTELLE MEM INST, COLUMBUS, OH 43201 USA
BARTLETT, RJ
[J].
ANNUAL REVIEW OF PHYSICAL CHEMISTRY,
1981,
32
: 359
-
401
←
1
2
3
4
→