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RELATIVISTIC CONFIGURATION-INTERACTION CALCULATIONS FOR POLYATOMICS - APPLICATIONS TO PBH2, SNH2, AND GEH2
被引:190
作者
:
BALASUBRAMANIAN, K
论文数:
0
引用数:
0
h-index:
0
BALASUBRAMANIAN, K
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1988年
/ 89卷
/ 09期
关键词
:
D O I
:
10.1063/1.455583
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:5731 / 5738
页数:8
相关论文
共 30 条
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ABINITIO EFFECTIVE CORE POTENTIALS INCLUDING RELATIVISTIC EFFECTS - A PROCEDURE FOR THE INCLUSION OF SPIN-ORBIT-COUPLING IN MOLECULAR WAVEFUNCTIONS
ERMLER, WC
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0
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h-index:
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UNIV CHICAGO,JAMES FRANCK INST,DEPT CHEM,CHICAGO,IL 60637
LEE, YS
CHRISTIANSEN, PA
论文数:
0
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UNIV CHICAGO,JAMES FRANCK INST,DEPT CHEM,CHICAGO,IL 60637
CHRISTIANSEN, PA
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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
[12]
ERMLER WC, COMMUNICATION
[13]
MOLECULAR SPINORS FROM THE QUASI-RELATIVISTIC PSEUDOPOTENTIAL APPROACH
HAFNER, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,D-5300 BONN 1,FED REP GER
HAFNER, P
SCHWARZ, WHE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,D-5300 BONN 1,FED REP GER
SCHWARZ, WHE
[J].
CHEMICAL PHYSICS LETTERS,
1979,
65
(03)
: 537
-
541
[14]
ELECTRONIC-STRUCTURE OF THE PHOSPHENIUM IONS PH2+, HPF+, AND PF2+
HARRISON, JF
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0
引用数:
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h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,THEORET CHEM GRP,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,THEORET CHEM GRP,ARGONNE,IL 60439
HARRISON, JF
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(25)
: 7406
-
7413
[15]
HURLEY MM, 1987, J CHEM PHYS, V87, P2812
[16]
ABINITIO RELATIVISTIC EFFECTIVE POTENTIALS WITH SPIN ORBIT OPERATORS .3. RB THROUGH XE
LAJOHN, LA
论文数:
0
引用数:
0
h-index:
0
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STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
LAJOHN, LA
CHRISTIANSEN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
CHRISTIANSEN, PA
ROSS, RB
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0
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0
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STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
ROSS, RB
ATASHROO, T
论文数:
0
引用数:
0
h-index:
0
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STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
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STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
ERMLER, WC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1987,
87
(05)
: 2812
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2824
[17]
CONFIGURATION INTERACTION CALCULATIONS ON NITROGEN MOLECULE
LANGHOFF, SR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,CHEM DEPT BG10,SEATTLE,WA 98105
UNIV WASHINGTON,CHEM DEPT BG10,SEATTLE,WA 98105
LANGHOFF, SR
DAVIDSON, ER
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0
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UNIV WASHINGTON,CHEM DEPT BG10,SEATTLE,WA 98105
UNIV WASHINGTON,CHEM DEPT BG10,SEATTLE,WA 98105
DAVIDSON, ER
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1974,
8
(01)
: 61
-
72
[18]
ABINITIO EFFECTIVE CORE POTENTIALS INCLUDING RELATIVISTIC EFFECTS .1. FORMALISM AND APPLICATIONS TO XE AND AU ATOMS
LEE, YS
论文数:
0
引用数:
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0
LEE, YS
ERMLER, WC
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0
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PITZER, KS
论文数:
0
引用数:
0
h-index:
0
PITZER, KS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1977,
67
(12)
: 5861
-
5876
[19]
METHYLENE - A STUDY OF THE X 3B1 AND A 1A1 STATES BY PHOTOELECTRON-SPECTROSCOPY OF CH2- AND CD2-
LEOPOLD, DG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
LEOPOLD, DG
MURRAY, KK
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
MURRAY, KK
MILLER, AES
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
MILLER, AES
LINEBERGER, WC
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0
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0
h-index:
0
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UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
LINEBERGER, WC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
83
(10)
: 4849
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4865
[20]
FAR INFRARED-LASER MAGNETIC-RESONANCE OF SINGLET METHYLENE - SINGLET TRIPLET PERTURBATIONS, SINGLET TRIPLET TRANSITIONS, AND THE SINGLET TRIPLET SPLITTING
MCKELLAR, ARW
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0
引用数:
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h-index:
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机构:
NBS,BOULDER,CO 80303
MCKELLAR, ARW
BUNKER, PR
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引用数:
0
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机构:
NBS,BOULDER,CO 80303
BUNKER, PR
SEARS, TJ
论文数:
0
引用数:
0
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机构:
NBS,BOULDER,CO 80303
SEARS, TJ
EVENSON, KM
论文数:
0
引用数:
0
h-index:
0
机构:
NBS,BOULDER,CO 80303
EVENSON, KM
SAYKALLY, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
NBS,BOULDER,CO 80303
SAYKALLY, RJ
LANGHOFF, SR
论文数:
0
引用数:
0
h-index:
0
机构:
NBS,BOULDER,CO 80303
LANGHOFF, SR
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(11)
: 5251
-
5264
←
1
2
3
→
共 30 条
[11]
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
[12]
ERMLER WC, COMMUNICATION
[13]
MOLECULAR SPINORS FROM THE QUASI-RELATIVISTIC PSEUDOPOTENTIAL APPROACH
HAFNER, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,D-5300 BONN 1,FED REP GER
HAFNER, P
SCHWARZ, WHE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,D-5300 BONN 1,FED REP GER
SCHWARZ, WHE
[J].
CHEMICAL PHYSICS LETTERS,
1979,
65
(03)
: 537
-
541
[14]
ELECTRONIC-STRUCTURE OF THE PHOSPHENIUM IONS PH2+, HPF+, AND PF2+
HARRISON, JF
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,THEORET CHEM GRP,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,THEORET CHEM GRP,ARGONNE,IL 60439
HARRISON, JF
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(25)
: 7406
-
7413
[15]
HURLEY MM, 1987, J CHEM PHYS, V87, P2812
[16]
ABINITIO RELATIVISTIC EFFECTIVE POTENTIALS WITH SPIN ORBIT OPERATORS .3. RB THROUGH XE
LAJOHN, LA
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
LAJOHN, LA
CHRISTIANSEN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
CHRISTIANSEN, PA
ROSS, RB
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
ROSS, RB
ATASHROO, T
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
ATASHROO, T
ERMLER, WC
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
ERMLER, WC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1987,
87
(05)
: 2812
-
2824
[17]
CONFIGURATION INTERACTION CALCULATIONS ON NITROGEN MOLECULE
LANGHOFF, SR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,CHEM DEPT BG10,SEATTLE,WA 98105
UNIV WASHINGTON,CHEM DEPT BG10,SEATTLE,WA 98105
LANGHOFF, SR
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,CHEM DEPT BG10,SEATTLE,WA 98105
UNIV WASHINGTON,CHEM DEPT BG10,SEATTLE,WA 98105
DAVIDSON, ER
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1974,
8
(01)
: 61
-
72
[18]
ABINITIO EFFECTIVE CORE POTENTIALS INCLUDING RELATIVISTIC EFFECTS .1. FORMALISM AND APPLICATIONS TO XE AND AU ATOMS
LEE, YS
论文数:
0
引用数:
0
h-index:
0
LEE, YS
ERMLER, WC
论文数:
0
引用数:
0
h-index:
0
ERMLER, WC
PITZER, KS
论文数:
0
引用数:
0
h-index:
0
PITZER, KS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1977,
67
(12)
: 5861
-
5876
[19]
METHYLENE - A STUDY OF THE X 3B1 AND A 1A1 STATES BY PHOTOELECTRON-SPECTROSCOPY OF CH2- AND CD2-
LEOPOLD, DG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
LEOPOLD, DG
MURRAY, KK
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
MURRAY, KK
MILLER, AES
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
MILLER, AES
LINEBERGER, WC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
LINEBERGER, WC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
83
(10)
: 4849
-
4865
[20]
FAR INFRARED-LASER MAGNETIC-RESONANCE OF SINGLET METHYLENE - SINGLET TRIPLET PERTURBATIONS, SINGLET TRIPLET TRANSITIONS, AND THE SINGLET TRIPLET SPLITTING
MCKELLAR, ARW
论文数:
0
引用数:
0
h-index:
0
机构:
NBS,BOULDER,CO 80303
MCKELLAR, ARW
BUNKER, PR
论文数:
0
引用数:
0
h-index:
0
机构:
NBS,BOULDER,CO 80303
BUNKER, PR
SEARS, TJ
论文数:
0
引用数:
0
h-index:
0
机构:
NBS,BOULDER,CO 80303
SEARS, TJ
EVENSON, KM
论文数:
0
引用数:
0
h-index:
0
机构:
NBS,BOULDER,CO 80303
EVENSON, KM
SAYKALLY, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
NBS,BOULDER,CO 80303
SAYKALLY, RJ
LANGHOFF, SR
论文数:
0
引用数:
0
h-index:
0
机构:
NBS,BOULDER,CO 80303
LANGHOFF, SR
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(11)
: 5251
-
5264
←
1
2
3
→