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INCLUSION OF RELATIVISTIC EFFECTS IN VARIATIONAL MOLECULAR CALCULATIONS
被引:23
作者
:
KATSUKI, S
论文数:
0
引用数:
0
h-index:
0
KATSUKI, S
HUZINAGA, S
论文数:
0
引用数:
0
h-index:
0
HUZINAGA, S
机构
:
来源
:
CHEMICAL PHYSICS LETTERS
|
1988年
/ 147卷
/ 06期
关键词
:
D O I
:
10.1016/0009-2614(88)80275-6
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:597 / 602
页数:6
相关论文
共 19 条
[1]
RELATIVISTIC INTEGRALS OVER BREIT-PAULI OPERATORS USING GENERAL CARTESIAN GAUSSIAN FUNCTIONS - COMMENT
[J].
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
;
GRELLAND, HH
论文数:
0
引用数:
0
h-index:
0
GRELLAND, HH
.
JOURNAL OF CHEMICAL PHYSICS,
1984,
80
(12)
:6329
-6330
[2]
A VARIATIONAL APPROACH TO RELATIVISTIC EFFECTS IN LCAO CALCULATIONS
[J].
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
;
GRELLAND, HH
论文数:
0
引用数:
0
h-index:
0
GRELLAND, HH
.
CHEMICAL PHYSICS LETTERS,
1985,
114
(01)
:53
-57
[3]
BETHE HA, 1961, QUANTUM MECHANICS ON
[4]
MATRIX REPRESENTATION OF THE RELATIVISTIC KINETIC-ENERGY OPERATOR - 2-COMPONENT VARIATIONAL PROCEDURE FOR THE TREATMENT OF MANY-ELECTRON ATOMS AND MOLECULES
[J].
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
BUENKER, RJ
;
CHANDRA, P
论文数:
0
引用数:
0
h-index:
0
CHANDRA, P
;
HESS, BA
论文数:
0
引用数:
0
h-index:
0
HESS, BA
.
CHEMICAL PHYSICS,
1984,
84
(01)
:1
-9
[5]
RELATIVISTIC INTEGRALS OVER BREIT-PAULI OPERATORS USING GENERAL CARTESIAN GAUSSIAN FUNCTIONS .1. ONE-ELECTRON INTERACTIONS
[J].
CHANDRA, P
论文数:
0
引用数:
0
h-index:
0
CHANDRA, P
;
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
BUENKER, RJ
.
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(01)
:358
-365
[6]
APPROXIMATE RELATIVISTIC CORRECTIONS TO ATOMIC RADIAL WAVE-FUNCTIONS
[J].
COWAN, RD
论文数:
0
引用数:
0
h-index:
0
机构:
ROLLINS COLL,DEPT PHYS,WINTER PK,FL 32789
COWAN, RD
;
GRIFFIN, DC
论文数:
0
引用数:
0
h-index:
0
机构:
ROLLINS COLL,DEPT PHYS,WINTER PK,FL 32789
GRIFFIN, DC
.
JOURNAL OF THE OPTICAL SOCIETY OF AMERICA,
1976,
66
(10)
:1010
-1014
[7]
THE ABINITIO MODEL POTENTIAL METHOD - MAIN GROUP ELEMENTS
[J].
HUZINAGA, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
HUZINAGA, S
;
SEIJO, L
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
SEIJO, L
;
BARANDIARAN, Z
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
BARANDIARAN, Z
;
KLOBUKOWSKI, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
KLOBUKOWSKI, M
.
JOURNAL OF CHEMICAL PHYSICS,
1987,
86
(04)
:2132
-2145
[8]
ELECTRONIC-STRUCTURE OF MOLECULES USING ONE-COMPONENT WAVE-FUNCTIONS AND RELATIVISTIC EFFECTIVE CORE POTENTIALS
[J].
KAHN, LR
论文数:
0
引用数:
0
h-index:
0
KAHN, LR
.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1984,
25
(01)
:149
-183
[9]
NON-RELATIVISTIC AND QUASIRELATIVISTIC MODEL POTENTIAL CALCULATIONS ON AGH AND AG-2
[J].
KLOBUKOWSKI, M
论文数:
0
引用数:
0
h-index:
0
KLOBUKOWSKI, M
.
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1983,
4
(03)
:350
-361
[10]
BASIS SET EXPANSION OF THE DIRAC OPERATOR WITHOUT VARIATIONAL COLLAPSE
[J].
KUTZELNIGG, W
论文数:
0
引用数:
0
h-index:
0
KUTZELNIGG, W
.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1984,
25
(01)
:107
-129
←
1
2
→
共 19 条
[1]
RELATIVISTIC INTEGRALS OVER BREIT-PAULI OPERATORS USING GENERAL CARTESIAN GAUSSIAN FUNCTIONS - COMMENT
[J].
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
;
GRELLAND, HH
论文数:
0
引用数:
0
h-index:
0
GRELLAND, HH
.
JOURNAL OF CHEMICAL PHYSICS,
1984,
80
(12)
:6329
-6330
[2]
A VARIATIONAL APPROACH TO RELATIVISTIC EFFECTS IN LCAO CALCULATIONS
[J].
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
;
GRELLAND, HH
论文数:
0
引用数:
0
h-index:
0
GRELLAND, HH
.
CHEMICAL PHYSICS LETTERS,
1985,
114
(01)
:53
-57
[3]
BETHE HA, 1961, QUANTUM MECHANICS ON
[4]
MATRIX REPRESENTATION OF THE RELATIVISTIC KINETIC-ENERGY OPERATOR - 2-COMPONENT VARIATIONAL PROCEDURE FOR THE TREATMENT OF MANY-ELECTRON ATOMS AND MOLECULES
[J].
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
BUENKER, RJ
;
CHANDRA, P
论文数:
0
引用数:
0
h-index:
0
CHANDRA, P
;
HESS, BA
论文数:
0
引用数:
0
h-index:
0
HESS, BA
.
CHEMICAL PHYSICS,
1984,
84
(01)
:1
-9
[5]
RELATIVISTIC INTEGRALS OVER BREIT-PAULI OPERATORS USING GENERAL CARTESIAN GAUSSIAN FUNCTIONS .1. ONE-ELECTRON INTERACTIONS
[J].
CHANDRA, P
论文数:
0
引用数:
0
h-index:
0
CHANDRA, P
;
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
BUENKER, RJ
.
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(01)
:358
-365
[6]
APPROXIMATE RELATIVISTIC CORRECTIONS TO ATOMIC RADIAL WAVE-FUNCTIONS
[J].
COWAN, RD
论文数:
0
引用数:
0
h-index:
0
机构:
ROLLINS COLL,DEPT PHYS,WINTER PK,FL 32789
COWAN, RD
;
GRIFFIN, DC
论文数:
0
引用数:
0
h-index:
0
机构:
ROLLINS COLL,DEPT PHYS,WINTER PK,FL 32789
GRIFFIN, DC
.
JOURNAL OF THE OPTICAL SOCIETY OF AMERICA,
1976,
66
(10)
:1010
-1014
[7]
THE ABINITIO MODEL POTENTIAL METHOD - MAIN GROUP ELEMENTS
[J].
HUZINAGA, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
HUZINAGA, S
;
SEIJO, L
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
SEIJO, L
;
BARANDIARAN, Z
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
BARANDIARAN, Z
;
KLOBUKOWSKI, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
KLOBUKOWSKI, M
.
JOURNAL OF CHEMICAL PHYSICS,
1987,
86
(04)
:2132
-2145
[8]
ELECTRONIC-STRUCTURE OF MOLECULES USING ONE-COMPONENT WAVE-FUNCTIONS AND RELATIVISTIC EFFECTIVE CORE POTENTIALS
[J].
KAHN, LR
论文数:
0
引用数:
0
h-index:
0
KAHN, LR
.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1984,
25
(01)
:149
-183
[9]
NON-RELATIVISTIC AND QUASIRELATIVISTIC MODEL POTENTIAL CALCULATIONS ON AGH AND AG-2
[J].
KLOBUKOWSKI, M
论文数:
0
引用数:
0
h-index:
0
KLOBUKOWSKI, M
.
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1983,
4
(03)
:350
-361
[10]
BASIS SET EXPANSION OF THE DIRAC OPERATOR WITHOUT VARIATIONAL COLLAPSE
[J].
KUTZELNIGG, W
论文数:
0
引用数:
0
h-index:
0
KUTZELNIGG, W
.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1984,
25
(01)
:107
-129
←
1
2
→