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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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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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 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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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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Ab initio calculations in atoms, molecules, and solids, treating spin–orbit coupling and electron interaction on an equal footing

The Journal of Chemical Physics ◽

10.1063/5.0075900 ◽

2022 ◽

Vol 156 (1) ◽

pp. 014107

Author(s):

Brandon Eskridge ◽

Henry Krakauer ◽

Hao Shi ◽

Shiwei Zhang

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Orbit Coupling ◽

Electron Interaction ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Equal Footing

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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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Extensive Ab initio Study on the Low-lying Excited States of SiBr+ Including Spin-Orbit Coupling

Communications in Computational Chemistry ◽

10.4208/cicc.2013.v1.n4.6 ◽

2013 ◽

Vol 1 (4) ◽

pp. 351-361 ◽

Cited By ~ 1

Author(s):

Hong-Sheng Zhai

Keyword(s):

Ab Initio ◽

Excited States ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Ab Initio Study

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The Jahn-Teller effect and spin-orbit coupling in alkali trimers: Spectroscopic experiments and ab initio calculations

10.1063/1.4771745 ◽

2012 ◽

Author(s):

Andreas Hauser ◽

Carlo Callegari ◽

Wolfgang E. Ernst

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Orbit Coupling ◽

Teller Effect ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Jahn Teller ◽

Jahn Teller Effect

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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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