Approximate inclusion of quantum effects in transition path sampling

Journal of Chemical Physics

Volumn 131, Issue 22, 2009, Pages

  Antoniou, Dimitri ^a   Schwartz, Steven D ^a,b  

^a ALBERT EINSTEIN COLLEGE OF MEDICINE   (United States)

^b INSTITUT DES HAUTES ÉTUDES SCIENTIFIQUES   (France)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATE INCLUSION; CENTROID METHOD; CPU-INTENSIVE; DEGREES OF FREEDOM; DYNAMICAL FEATURES; MODEL SYSTEM; NORMAL MODES; NUCLEAR QUANTUM EFFECTS; QUANTUM BEHAVIORS; QUANTUM EFFECTS; QUANTUM SUBSYSTEMS; TRANSITION PATH SAMPLING;

QUANTUM THEORY; SEMICONDUCTOR QUANTUM WIRES;

MATHEMATICAL MODELS;

ARTICLE; CHEMICAL MODEL; MOLECULAR DYNAMICS; QUANTUM THEORY;

MODELS, CHEMICAL; MOLECULAR DYNAMICS SIMULATION; QUANTUM THEORY;

EID: 72449203658     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3272793     Document Type: Article

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