Mixed quantum-classical molecular dynamics study of vibrational relaxation of CN- ion in water: An analysis of coupling as a function of time

Journal of Molecular Liquids

Volumn 119, Issue 1-3, 2005, Pages 15-22

  Sato, Masahiro ^a   Okazaki, Susumu ^b  

^a TOKYO INSTITUTE OF TECHNOLOGY   (Japan)

^b INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

Author keywords

Molecular dynamics; Vibrational relaxation

Indexed keywords

CRYSTALLINE MATERIALS; DEGREES OF FREEDOM (MECHANICS); LATTICE VIBRATIONS; MATHEMATICAL MODELS; PHONONS; POTENTIAL ENERGY; PROBABILITY DISTRIBUTIONS; QUANTUM THEORY; RELAXATION PROCESSES; WATER;

DELTA-FUNCTION-LIKE COUPLING; ISOLATED BINARY COLLISION (IBC); SINUSOIDAL COUPLING; VIBRATIONAL RELAXATION;

MOLECULAR DYNAMICS;

EID: 15844385991     PISSN: 01677322     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molliq.2004.10.004     Document Type: Conference Paper

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