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AN APPROXIMATE METHOD TO INCORPORATE SPIN ORBIT EFFECTS INTO CALCULATIONS USING EFFECTIVE CORE POTENTIALS
被引:36
作者
:
WADT, WR
论文数:
0
引用数:
0
h-index:
0
WADT, WR
机构
:
来源
:
CHEMICAL PHYSICS LETTERS
|
1982年
/ 89卷
/ 03期
关键词
:
D O I
:
10.1016/0009-2614(82)80050-X
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:245 / 248
页数:4
相关论文
共 22 条
[1]
RELATIVISTIC EFFECTS IN ABINITIO EFFECTIVE CORE POTENTIAL STUDIES OF HEAVY-METAL COMPOUNDS - APPLICATION TO HGCL2, AUCL, AND PTH
BASCH, H
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Bar Ilan University, Ramat Gan
BASCH, H
TOPIOL, S
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Bar Ilan University, Ramat Gan
TOPIOL, S
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(02)
: 802
-
814
[2]
IMPROVED ABINITIO EFFECTIVE CORE POTENTIALS FOR MOLECULAR CALCULATIONS
CHRISTIANSEN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
CHRISTIANSEN, PA
LEE, YS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
LEE, YS
PITZER, KS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
PITZER, KS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(11)
: 4445
-
4450
[3]
ELECTRONIC-STRUCTURE FOR THE GROUND-STATE OF T1H FROM RELATIVISTIC MULTICONFIGURATION SCF CALCULATIONS
CHRISTIANSEN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
CHRISTIANSEN, PA
PITZER, KS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
PITZER, KS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
73
(10)
: 5160
-
5163
[4]
ELECTRONIC-STRUCTURE AND DISSOCIATION CURVES FOR THE GROUND-STATES OF TI2 AND TI-2+ FROM RELATIVISTIC EFFECTIVE POTENTIAL CALCULATIONS
CHRISTIANSEN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
CHRISTIANSEN, PA
PITZER, KS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
PITZER, KS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1981,
74
(02)
: 1162
-
1165
[5]
SPIN-ORBIT-COUPLING AND INELASTIC TRANSITIONS IN COLLISIONS OF O(1D) WITH AR, KR, AND XE
COHEN, JS
论文数:
0
引用数:
0
h-index:
0
机构:
Theoretical Division, Los Alamos Scientific Laboratory, University of California, Los Alamos
COHEN, JS
WADT, WR
论文数:
0
引用数:
0
h-index:
0
机构:
Theoretical Division, Los Alamos Scientific Laboratory, University of California, Los Alamos
WADT, WR
HAY, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
Theoretical Division, Los Alamos Scientific Laboratory, University of California, Los Alamos
HAY, PJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(07)
: 2955
-
2965
[6]
APPROXIMATE RELATIVISTIC CORRECTIONS TO ATOMIC RADIAL WAVE-FUNCTIONS
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
[J].
JOURNAL OF THE OPTICAL SOCIETY OF AMERICA,
1976,
66
(10)
: 1010
-
1014
[7]
ABINITIO EFFECTIVE CORE POTENTIALS INCLUDING RELATIVISTIC EFFECTS - A PROCEDURE FOR THE INCLUSION OF SPIN-ORBIT-COUPLING IN MOLECULAR WAVEFUNCTIONS
ERMLER, WC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,JAMES FRANCK INST,DEPT CHEM,CHICAGO,IL 60637
ERMLER, WC
LEE, YS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,JAMES FRANCK INST,DEPT CHEM,CHICAGO,IL 60637
LEE, YS
CHRISTIANSEN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,JAMES FRANCK INST,DEPT CHEM,CHICAGO,IL 60637
CHRISTIANSEN, PA
PITZER, KS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,JAMES FRANCK INST,DEPT CHEM,CHICAGO,IL 60637
PITZER, KS
[J].
CHEMICAL PHYSICS LETTERS,
1981,
81
(01)
: 70
-
74
[8]
HAY P, UNPUB
[9]
AB-INITIO STUDIES OF THE ELECTRONIC-STRUCTURE OF UF6, UF6+, AND UF-6 USING RELATIVISTIC EFFECTIVE CORE POTENTIALS
HAY, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS LABS,MET SCI SECT,COLUMBUS,OH 43201
HAY, PJ
WADT, WR
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS LABS,MET SCI SECT,COLUMBUS,OH 43201
WADT, WR
KAHN, LR
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS LABS,MET SCI SECT,COLUMBUS,OH 43201
KAHN, LR
RAFFENETTI, RC
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS LABS,MET SCI SECT,COLUMBUS,OH 43201
RAFFENETTI, RC
PHILLIPS, DH
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS LABS,MET SCI SECT,COLUMBUS,OH 43201
PHILLIPS, DH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(04)
: 1767
-
1779
[10]
Hunt WJ, 1969, CHEM PHYS LETT, V3, P414, DOI 10.1016/0009-2614(69)80154-5
←
1
2
3
→
共 22 条
[1]
RELATIVISTIC EFFECTS IN ABINITIO EFFECTIVE CORE POTENTIAL STUDIES OF HEAVY-METAL COMPOUNDS - APPLICATION TO HGCL2, AUCL, AND PTH
BASCH, H
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Bar Ilan University, Ramat Gan
BASCH, H
TOPIOL, S
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Bar Ilan University, Ramat Gan
TOPIOL, S
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(02)
: 802
-
814
[2]
IMPROVED ABINITIO EFFECTIVE CORE POTENTIALS FOR MOLECULAR CALCULATIONS
CHRISTIANSEN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
CHRISTIANSEN, PA
LEE, YS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
LEE, YS
PITZER, KS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
PITZER, KS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(11)
: 4445
-
4450
[3]
ELECTRONIC-STRUCTURE FOR THE GROUND-STATE OF T1H FROM RELATIVISTIC MULTICONFIGURATION SCF CALCULATIONS
CHRISTIANSEN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
CHRISTIANSEN, PA
PITZER, KS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
PITZER, KS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
73
(10)
: 5160
-
5163
[4]
ELECTRONIC-STRUCTURE AND DISSOCIATION CURVES FOR THE GROUND-STATES OF TI2 AND TI-2+ FROM RELATIVISTIC EFFECTIVE POTENTIAL CALCULATIONS
CHRISTIANSEN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
CHRISTIANSEN, PA
PITZER, KS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
PITZER, KS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1981,
74
(02)
: 1162
-
1165
[5]
SPIN-ORBIT-COUPLING AND INELASTIC TRANSITIONS IN COLLISIONS OF O(1D) WITH AR, KR, AND XE
COHEN, JS
论文数:
0
引用数:
0
h-index:
0
机构:
Theoretical Division, Los Alamos Scientific Laboratory, University of California, Los Alamos
COHEN, JS
WADT, WR
论文数:
0
引用数:
0
h-index:
0
机构:
Theoretical Division, Los Alamos Scientific Laboratory, University of California, Los Alamos
WADT, WR
HAY, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
Theoretical Division, Los Alamos Scientific Laboratory, University of California, Los Alamos
HAY, PJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(07)
: 2955
-
2965
[6]
APPROXIMATE RELATIVISTIC CORRECTIONS TO ATOMIC RADIAL WAVE-FUNCTIONS
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
[J].
JOURNAL OF THE OPTICAL SOCIETY OF AMERICA,
1976,
66
(10)
: 1010
-
1014
[7]
ABINITIO EFFECTIVE CORE POTENTIALS INCLUDING RELATIVISTIC EFFECTS - A PROCEDURE FOR THE INCLUSION OF SPIN-ORBIT-COUPLING IN MOLECULAR WAVEFUNCTIONS
ERMLER, WC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,JAMES FRANCK INST,DEPT CHEM,CHICAGO,IL 60637
ERMLER, WC
LEE, YS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,JAMES FRANCK INST,DEPT CHEM,CHICAGO,IL 60637
LEE, YS
CHRISTIANSEN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,JAMES FRANCK INST,DEPT CHEM,CHICAGO,IL 60637
CHRISTIANSEN, PA
PITZER, KS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,JAMES FRANCK INST,DEPT CHEM,CHICAGO,IL 60637
PITZER, KS
[J].
CHEMICAL PHYSICS LETTERS,
1981,
81
(01)
: 70
-
74
[8]
HAY P, UNPUB
[9]
AB-INITIO STUDIES OF THE ELECTRONIC-STRUCTURE OF UF6, UF6+, AND UF-6 USING RELATIVISTIC EFFECTIVE CORE POTENTIALS
HAY, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS LABS,MET SCI SECT,COLUMBUS,OH 43201
HAY, PJ
WADT, WR
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS LABS,MET SCI SECT,COLUMBUS,OH 43201
WADT, WR
KAHN, LR
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS LABS,MET SCI SECT,COLUMBUS,OH 43201
KAHN, LR
RAFFENETTI, RC
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS LABS,MET SCI SECT,COLUMBUS,OH 43201
RAFFENETTI, RC
PHILLIPS, DH
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS LABS,MET SCI SECT,COLUMBUS,OH 43201
PHILLIPS, DH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(04)
: 1767
-
1779
[10]
Hunt WJ, 1969, CHEM PHYS LETT, V3, P414, DOI 10.1016/0009-2614(69)80154-5
←
1
2
3
→