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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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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Ab initio calculation of molecular spin‐orbit coupling constants using a universal even‐tempered basis set of exponential functions

The Journal of Chemical Physics ◽

10.1063/1.442964 ◽

1982 ◽

Vol 76 (12) ◽

pp. 6088-6090 ◽

Cited By ~ 21

Author(s):

David L. Cooper ◽

Stephen Wilson

Keyword(s):

Ab Initio ◽

Ab Initio Calculation ◽

Coupling Constants ◽

Orbit Coupling ◽

Basis Set ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Exponential Functions ◽

Molecular Spin

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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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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 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 calculation of atomic spin-orbit coupling constants using a universal systematic sequence of even-tempered exponential-type basis sets

Journal of Physics B Atomic and Molecular Physics ◽

10.1088/0022-3700/15/4/002 ◽

1982 ◽

Vol 15 (4) ◽

pp. 493-501 ◽

Cited By ~ 17

Author(s):

D L Cooper ◽

S Wilson

Keyword(s):

Ab Initio ◽

Exponential Type ◽

Ab Initio Calculation ◽

Coupling Constants ◽

Orbit Coupling ◽

Basis Sets ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Atomic Spin

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AB initio spin-orbit coupling constants for potential exotic interstellar molecules

The Astrophysical Journal ◽

10.1086/160726 ◽

1983 ◽

Vol 265 ◽

pp. 808 ◽

Cited By ~ 21

Author(s):

D. L. Cooper

Keyword(s):

Ab Initio ◽

Coupling Constants ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Interstellar Molecules

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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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Ab initio calculation of spin–orbit coupling constant in diatomic molecules

The Journal of Chemical Physics ◽

10.1063/1.439540 ◽

1980 ◽

Vol 72 (5) ◽

pp. 3438-3439 ◽

Cited By ~ 26

Author(s):

H. P. Trivedi ◽

W. G. Richards

Keyword(s):

Ab Initio ◽

Ab Initio Calculation ◽

Diatomic Molecules ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Coupling Constant

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Ab initio study including spin–orbit coupling of the electronic band structure and magnetic properties of h-HoMnO3

Indian Journal of Physics ◽

10.1007/s12648-021-02129-7 ◽

2021 ◽

Author(s):

A. Chadli ◽

B. Lagoun ◽

L. Aissani ◽

Y. Berhail ◽

G. Manca ◽

...

Keyword(s):

Magnetic Properties ◽

Band Structure ◽

Ab Initio ◽

Electronic Band Structure ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Ab Initio Study ◽

Electronic Band

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