Augmented Ehrenfest dynamics yields a rate for surface hopping

Journal of Chemical Physics

Volumn 132, Issue 13, 2010, Pages

  Subotnik, Joseph E ^a,b  

^a NORTHWESTERN UNIVERSITY   (United States)

^b UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADJUSTABLE PARAMETERS; DECOHERENCE; EHRENFEST; EHRENFEST DYNAMICS; GAUSSIANS; HOPPING DYNAMICS; IN-PHASE; INDEPENDENT VARIABLES; MEAN-FIELD; MIXED QUANTUM-CLASSICAL DYNAMICS; NON-ADIABATIC DYNAMICS; NUCLEAR WAVE PACKET; NUMERICAL RESULTS; PROBABILITY DENSITIES; QUANTUM-CLASSICAL; SURFACE HOPPING; WIGNER TRANSFORMS;

ALGORITHMS; ELECTRONIC STATES; EQUATIONS OF MOTION; PHASE SPACE METHODS; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY; QUANTUM THEORY; WAVE EQUATIONS;

DYNAMICS;

EID: 78649775583     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3314248     Document Type: Article

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