Mixed time slicing in path integral simulations

Journal of Chemical Physics

Volumn 134, Issue 7, 2011, Pages

  Steele, Ryan P ^a   Zwickl, Jill ^a   Shushkov, Philip ^a   Tully, John C ^a  

^a YALE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CLASSICAL MOLECULAR DYNAMICS; COST ESTIMATE; DEGREES OF FREEDOM; DIFFERENT MODES; LOW-FREQUENCY MODES; MODEL SYSTEM; PATH INTEGRAL; PATH-INTEGRAL SIMULATION; QUANTUM MECHANICAL; QUANTUM MECHANICAL EFFECTS; QUANTUM MECHANICAL SIMULATIONS; QUANTUM-CLASSICAL; TIME SLICE; TIME SLICING; TIME-STEP INTEGRATION;

ALGORITHMS; CONVERGENCE OF NUMERICAL METHODS; COST ACCOUNTING; COST BENEFIT ANALYSIS; MECHANICS; MOLECULAR DYNAMICS;

QUANTUM THEORY;

EID: 79951926007     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3518714     Document Type: Article

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