Nonadiabatic ab initio molecular dynamics including spin–orbit coupling and laser fields

Faraday Discussions ◽

10.1039/c1fd00055a ◽

2011 ◽

Vol 153 ◽

pp. 261 ◽

Cited By ~ 49

Author(s):

Philipp Marquetand ◽

Martin Richter ◽

Jesús González-Vázquez ◽

Ignacio Sola ◽

Leticia González

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Orbit Coupling ◽

Ab Initio Molecular Dynamics ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Laser Fields

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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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Intense terahertz laser fields on a two-dimensional hole gas with Rashba spin–orbit coupling

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2007.10.120 ◽

2008 ◽

Vol 40 (9) ◽

pp. 2847-2850 ◽

Cited By ~ 6

Author(s):

Y. Zhou

Keyword(s):

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Two Dimensional ◽

Laser Fields ◽

Rashba Spin

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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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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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Ab initio molecular dynamics of highly charged fullerene cations in intense near-infrared laser fields

10.1117/12.750116 ◽

2007 ◽

Cited By ~ 1

Author(s):

Hirohiko Kono ◽

Katsunori Nakai ◽

Naoyuki Niitsu

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Near Infrared ◽

Infrared Laser ◽

Ab Initio Molecular Dynamics ◽

Laser Fields

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On long-range spin-orbit coupling effects in molecular dynamics: O2+ dissociation and predissociation

Chemical Physics ◽

10.1016/0301-0104(81)85177-4 ◽

1981 ◽

Vol 59 (3) ◽

pp. 351-363 ◽

Cited By ~ 16

Author(s):

Jean Durup

Keyword(s):

Molecular Dynamics ◽

Long Range ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Coupling Effects ◽

O2 Dissociation

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Extensive ab initio calculation on low-lying excited states of SiN+ cation including spin-orbit coupling

The European Physical Journal D ◽

10.1140/epjd/e2015-50584-y ◽

2015 ◽

Vol 69 (3) ◽

Cited By ~ 1

Author(s):

YuFang Liu ◽

Hongsheng Zhai ◽

Yanlei Liu

Keyword(s):

Ab Initio ◽

Excited States ◽

Ab Initio Calculation ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit

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Flexible nuclear screening approximation to the two-electron spin–orbit coupling based on ab initio parameterization

The Journal of Chemical Physics ◽

10.1063/1.4832737 ◽

2013 ◽

Vol 139 (20) ◽

pp. 204106 ◽

Cited By ~ 6

Author(s):

Jakub Chalupský ◽

Takeshi Yanai

Keyword(s):

Ab Initio ◽

Electron Spin ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit

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Advanced aspects of ab initio theoretical optical spectroscopy of transition metal complexes: Multiplets, spin-orbit coupling and resonance Raman intensities

Coordination Chemistry Reviews ◽

10.1016/j.ccr.2006.05.019 ◽

2007 ◽

Vol 251 (3-4) ◽

pp. 288-327 ◽

Cited By ~ 232

Author(s):

Frank Neese ◽

Taras Petrenko ◽

Dmitry Ganyushin ◽

Gottfried Olbrich

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Ab Initio ◽

Optical Spectroscopy ◽

Transition Metal Complexes ◽

Resonance Raman ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Raman Intensities

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