Can we derive Tully's surface-hopping algorithm from the semiclassical quantum Liouville equation? Almost, but only with decoherence

Journal of Chemical Physics

Volumn 139, Issue 21, 2013, Pages

  Subotnik, Joseph E ^a   Ouyang, Wenjun ^a   Landry, Brian R ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DECOHERENCE; FORCE-BASED; INTERFERENCE EFFECTS; MATRIX ELEMENTS; NON-ADIABATIC TRANSITIONS; NUCLEAR WAVE PACKET; QUANTUM-CLASSICAL; SURFACE HOPPING;

LIOUVILLE EQUATION; QUANTUM THEORY;

APPROXIMATION ALGORITHMS;

EID: 84903362337     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4829856     Document Type: Article

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