Simultaneous-trajectory surface hopping: A parameter-free algorithm for implementing decoherence in nonadiabatic dynamics

Journal of Chemical Physics

Volumn 134, Issue 14, 2011, Pages

  Shenvi, Neil ^a   Subotnik, Joseph E ^b   Yang, Weitao ^a  

^a DUKE UNIVERSITY   (United States)

^b UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADIABATIC STATE; CLASSICAL TRAJECTORIES; DECOHERENCE; MODEL PROBLEMS; NON-ADIABATIC DYNAMICS; SURFACE HOPPING; TRAJECTORY SURFACE HOPPING; TRAJECTORY-BASED;

QUANTUM THEORY; TRAJECTORIES;

ALGORITHMS;

EID: 79954609539     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3575588     Document Type: Article

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