Spin Orbit Coupling Constants in Simple Diatomic Molecules

Eiichi Ishiguro; Michiko Kobori

doi:10.1143/jpsj.22.263

Spin Orbit Coupling Constants in Simple Diatomic Molecules

Journal of the Physical Society of Japan ◽

10.1143/jpsj.22.263 ◽

1967 ◽

Vol 22 (1) ◽

pp. 263-270 ◽

Cited By ~ 59

Author(s):

Eiichi Ishiguro ◽

Michiko Kobori

Keyword(s):

Diatomic Molecules ◽

Coupling Constants ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit

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Calculation of Spin-Orbit Coupling Constants in Diatomic Molecules from Hartree-Fock Wave Functions

Physical Review ◽

10.1103/physrev.177.100 ◽

1969 ◽

Vol 177 (1) ◽

pp. 100-101 ◽

Cited By ~ 31

Author(s):

T. E. H. Walker ◽

W. G. Richards

Keyword(s):

Diatomic Molecules ◽

Wave Functions ◽

Coupling Constants ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Hartree Fock

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ChemInform Abstract: Calculation of Spin-Orbit Coupling Constants in Diatomic Molecules with Restricted Hartree-Fock Wavefunctions

ChemInform ◽

10.1002/chin.198713001 ◽

1987 ◽

Vol 18 (13) ◽

Author(s):

H. GUO ◽

A.-M. TIAN ◽

G.-S. YAN

Keyword(s):

Diatomic Molecules ◽

Coupling Constants ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Hartree Fock

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Calculation of spin-orbit coupling constants in diatomic molecules with restricted Hartree—Fock wavefunctions

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(87)80051-9 ◽

1987 ◽

Vol 149 (1-2) ◽

pp. 105-109

Author(s):

Guo Hua ◽

Tian An-Min ◽

Yan Guo-Sen

Keyword(s):

Diatomic Molecules ◽

Coupling Constants ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Hartree Fock

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Ab initio computation of spin-orbit coupling constants in diatomic molecules

Symposia of the Faraday Society ◽

10.1039/sf9680200064 ◽

1968 ◽

Vol 2 ◽

pp. 64 ◽

Cited By ~ 35

Author(s):

T. E. H. Walker ◽

W. G. Richards

Keyword(s):

Ab Initio ◽

Diatomic Molecules ◽

Coupling Constants ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Ab Initio Computation

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MCSCF/6-31G(d,p) calculations of one-electron spin-orbit coupling constants in diatomic molecules

The Journal of Physical Chemistry ◽

10.1021/j100205a033 ◽

1992 ◽

Vol 96 (26) ◽

pp. 10768-10772 ◽

Cited By ~ 177

Author(s):

Shiro Koseki ◽

Michael W. Schmidt ◽

Mark S. Gordon

Keyword(s):

Electron Spin ◽

Diatomic Molecules ◽

Coupling Constants ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit

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1.1.6 Selected diamagnetic ionic susceptibilities, Pascal constants, and one-electron spin-orbit coupling constants

Magnetic Properties of Coordination and Organometallic Transition Metal Compounds - Landolt-Börnstein - Group II Molecules and Radicals ◽

10.1007/10201323_11 ◽

2005 ◽

pp. 27-29

Author(s):

E. König ◽

G. König

Keyword(s):

Electron Spin ◽

Coupling Constants ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit

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Spin–orbit coupling constants for the 2E states of CH3O and CH3F+

The Journal of Chemical Physics ◽

10.1063/1.443228 ◽

1982 ◽

Vol 76 (5) ◽

pp. 2765-2766 ◽

Cited By ~ 9

Author(s):

David L. Cooper

Keyword(s):

Coupling Constants ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit

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Theoretical study of spin-orbit coupling constants for O2+ (A 2Π3/2,1/2u, v+=0–17 and a 4Π5/2,3/2,1/2,−1/2u, v+=0–25)

The Journal of Chemical Physics ◽

10.1063/1.1402170 ◽

2001 ◽

Vol 115 (16) ◽

pp. 7393-7400 ◽

Cited By ~ 8

Author(s):

D. G. Fedorov ◽

M. S. Gordon ◽

Y. Song ◽

C. Y. Ng

Keyword(s):

Theoretical Study ◽

Coupling Constants ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit

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Spin–Orbit Coupling Constants in Atoms and Ions of Transition Elements: Comparison of Effective Core Potentials, Model Core Potentials, and All-Electron Methods

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.8b09218 ◽

2019 ◽

Vol 123 (12) ◽

pp. 2325-2339 ◽

Cited By ~ 3

Author(s):

Shiro Koseki ◽

Nikita Matsunaga ◽

Toshio Asada ◽

Michael W. Schmidt ◽

Mark S. Gordon

Keyword(s):

Coupling Constants ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Transition Elements ◽

Model Core Potentials ◽

Effective Core Potentials

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Spin-orbit coupling constants from coupled-cluster response theory

Physical Chemistry Chemical Physics ◽

10.1039/a908995k ◽

2000 ◽

Vol 2 (5) ◽

pp. 965-971 ◽

Cited By ~ 74

Author(s):

Ove Christiansen ◽

Jürgen Gauss ◽

Bernd Schimmelpfennig

Keyword(s):

Coupling Constants ◽

Orbit Coupling ◽

Coupled Cluster ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Response Theory

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