Nonadiabatic dynamics with the help of multiconfigurational Ehrenfest method: Improved theory and fully quantum 24D simulation of pyrazine

Journal of Chemical Physics

Volumn 132, Issue 24, 2010, Pages

  Shalashilin, Dmitrii V ^a  

^a UNIVERSITY OF LEEDS   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS FUNCTIONS; BASIS SETS; COUPLED ELECTRONIC STATE; DIRECT DYNAMICS; EHRENFEST; EHRENFEST METHOD; FUTURE APPLICATIONS; GAUSSIANS; NON-ADIABATIC DYNAMICS; ON THE FLIES; PYRAZINES; QUANTUM DYNAMICS; QUANTUM PROPAGATION;

ABSORPTION SPECTROSCOPY; ELECTRONIC STATES; QUANTUM THEORY; TRAJECTORIES;

DYNAMICS;

EID: 77954192269     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3442747     Document Type: Article

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