Evaluation of the importance of spin-orbit couplings in the nonadiabatic quantum dynamics with quantum fidelity and with its efficient "on-the-fly" ab initio semiclassical approximation

Journal of Chemical Physics

Volumn 137, Issue 22, 2012, Pages

  Zimmermann, Tomáš ^a   Vaníček, Jiří ^a  

^a EPFL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; DEPHASING; MEAN FIELD DYNAMICS; NON-ADIABATIC; NON-ADIABATIC COUPLING; NUCLEAR QUANTUM EFFECTS; ON-THE-FLY; ONE-DIMENSIONAL MODEL; QUANTUM DYNAMICS; QUANTUM FIDELITY; QUANTUM-CLASSICAL; SEMI-CLASSICAL APPROXIMATION; SEMICLASSICAL METHODS; SPIN-ORBIT COUPLINGS; SURFACE HOPPING;

COUPLINGS; DYNAMICS; ELECTRONIC STATES; ELECTRONIC STRUCTURE; QUANTUM CHEMISTRY; QUANTUM ELECTRONICS;

QUANTUM EFFICIENCY;

EID: 84871194030     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4738878     Document Type: Article

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