Vibrational relaxation time of CN ion in water studied by mixed quantum-classical molecular dynamics: Comparison with Fermi's golden rule and influence functional theory

Molecular Simulation

Volumn 30, Issue 13-15, 2004, Pages 835-839

  Sato, Masahiro ^a   Okazaki, Susumu ^b  

^a TOKYO INSTITUTE OF TECHNOLOGY   (Japan)

^b INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

Author keywords

Flexible water model; Mixed quantum classical approximation; Molecular dynamics; Vibrational relaxation

Indexed keywords

FERMI LEVEL; INTEGRAL EQUATIONS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

FLEXIBLE WATER MODEL; MIXED-QUANTUM-CLASSICAL APPROXIMATION; VIBRATIONAL RELAXATION;

WATER;

EID: 11144343257     PISSN: 08927022     EISSN: None     Source Type: Journal    
DOI: 10.1080/08927020412331298748     Document Type: Conference Paper

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