Coherence penalty functional: A simple method for adding decoherence in Ehrenfest dynamics

Journal of Chemical Physics

Volumn 140, Issue 19, 2014, Pages

  Akimov, Alexey V ^a,b   Long, Run ^c   Prezhdo, Oleg V ^a  

^a UNIVERSITY OF ROCHESTER   (United States)

^b BROOKHAVEN NATIONAL LABORATORY   (United States)

^c UNIVERSITY COLLEGE DUBLIN   (Ireland)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON TRANSITIONS; MOLECULAR DYNAMICS;

ARTIFICIAL INTERFERENCES; DECOHERENCE EFFECTS; ELECTRON TRANSFER DYNAMICS; NON-ADIABATIC COUPLING; NONADIABATIC MOLECULAR DYNAMICS; QUANTUM CALCULATION; SEMICLASSICAL APPROACHES; SEMICLASSICAL METHODS;

QUANTUM THEORY;

EID: 84901483466     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4875702     Document Type: Article

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