Molecular dynamics approach to vibrational energy relaxation: Quantum-classical versus purely classical nonequilibrium simulations

Journal of Chemical Physics

Volumn 119, Issue 5, 2003, Pages 2502-2512

  Neufeld, A A ^a   Schwarzer, D ^a   Schrpeder, J ^b   Troe, J ^b  

^a MAX PLANCK INSTITUTE FOR BIOPHYSICAL CHEMISTRY   (Germany)

^b UNIVERSITY OF GÖTTINGEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTER SIMULATION; MOLECULAR VIBRATIONS; QUANTUM THEORY; RELAXATION PROCESSES; TIME DOMAIN ANALYSIS;

ENERGY RELAXATION;

MOLECULAR DYNAMICS;

EID: 0042012852     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1587125     Document Type: Article

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