Efficient on-the-fly ab initio semiclassical method for computing time-resolved nonadiabatic electronic spectra with surface hopping or Ehrenfest dynamics

Journal of Chemical Physics

Volumn 141, Issue 13, 2014, Pages

  Zimmermann, Tomáš ^a   Vaníček, Jiří ^a  

^a EPFL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

DEGREES OF FREEDOM (MECHANICS); ELECTRONIC STRUCTURE; EMISSION SPECTROSCOPY; LASER PULSES; PROBES; QUANTUM ELECTRONICS;

COMPUTATIONAL EFFORT; EHRENFEST DYNAMICS; ELECTRONIC SPECTRUM; IMPORTANT FEATURES; MEAN FIELD DYNAMICS; NON-ADIABATIC COUPLING; SEMI-CLASSICAL APPROXIMATION; SEMICLASSICAL METHODS;

OPTICAL PUMPING;

EID: 84907741835     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4896735     Document Type: Article

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