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

Shiro Koseki; Michael W. Schmidt; Mark S. Gordon

doi:10.1021/j100205a033

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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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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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 ◽

10.1007/10201315_4 ◽

2005 ◽

pp. 12-14

Author(s):

E. König ◽

G. König

Keyword(s):

Electron Spin ◽

Coupling Constants ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit

Download Full-text

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 ◽

10.1007/10201187_5 ◽

2005 ◽

pp. 16-18

Author(s):

E. König

Keyword(s):

Electron Spin ◽

Coupling Constants ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit

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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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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 ◽

10.1007/10201242_12 ◽

2005 ◽

pp. 27-29 ◽

Cited By ~ 3

Author(s):

E. König ◽

G. König

Keyword(s):

Electron Spin ◽

Coupling Constants ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit

Download Full-text

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

Magnetic Susceptibilities - Landolt-Börnstein - Group II Molecules and Radicals ◽

10.1007/10201331_12 ◽

2005 ◽

pp. 28-30

Author(s):

E. König ◽

G. König

Keyword(s):

Electron Spin ◽

Coupling Constants ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit

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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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