Forward-backward semiclassical simulation of dynamical processes in liquids

Journal of Theoretical and Computational Chemistry

Volumn 3, Issue 3, 2004, Pages 391-417

  Makri, Nancy ^a   Nakayama, Akira ^a   Wright, Nicholas J ^a  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

Liquids; Quantum mechanical effects; Semiclassical propagation; Simulation; Time correlation functions

Indexed keywords

ARGON; HYDROGEN; NEON;

ACCELERATION; ACCURACY; ARTICLE; ATOM; CORRELATION ANALYSIS; DENSITY; DYNAMICS; ENERGY; FORWARD BACKWARD SEMICLASSICAL DYNAMICS; LIQUID; METHODOLOGY; MODEL; MOLECULAR DYNAMICS; MONTE CARLO METHOD; QUANTITATIVE ANALYSIS; QUANTUM MECHANICS; SAMPLING; SIMULATION; STATISTICS; TEMPERATURE; TIME;

EID: 12144259858     PISSN: 02196336     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0219633604001112     Document Type: Article

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