Decoherence and surface hopping: When can averaging over initial conditions help capture the effects of wave packet separation?

Journal of Chemical Physics

Volumn 134, Issue 24, 2011, Pages

  Subotnik, Joseph E ^a   Shenvi, Neil ^b  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

^b DUKE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CLASSICAL MECHANICS; DECOHERENCE; DECOHERENCE EFFECTS; INITIAL CONDITIONS; MODEL PROBLEMS; NON-ADIABATIC DYNAMICS; PACKET SEPARATION; QUANTUM WAVE PACKETS; STOCHASTIC SAMPLING; SURFACE HOPPING; WIGNER DISTRIBUTION;

MECHANICS; PROBABILITY DISTRIBUTIONS; WAVE PACKETS; WAVES;

QUANTUM THEORY;

EID: 79960185469     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3603448     Document Type: Article

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49. Note that our newest version of A-FSSH has a few minor corrections relative to the algorithm in Ref., and will be described in more detail in an upcoming publication.