A simple model for the treatment of imaginary frequencies in chemical reaction rates and molecular liquids

Journal of Chemical Physics

Volumn 131, Issue 7, 2009, Pages

  Liu, Jian ^a,b   Miller, William H ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b Life Sciences Division   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ASYMMETRIC BARRIERS; BOLTZMANN OPERATORS; DYNAMICAL PROCESS; EXTERNAL PRESSURES; GAUSSIAN APPROXIMATIONS; IMAGINARY FREQUENCY; INITIAL VALUES; LINEAR MODEL; LOCAL HARMONIC APPROXIMATION; MOLECULAR LIQUIDS; MOMENTUM AUTOCORRELATION FUNCTIONS; MOMENTUM DISTRIBUTIONS; PARA-HYDROGEN; QUANTUM EFFECTS; REAL-TIME CORRELATIONS; SIMPLE MODEL; THERMAL STATE; WIGNER APPROXIMATION; WIGNER FUNCTIONS;

GRAFTING (CHEMICAL); HYDROGEN; NEWTONIAN FLOW; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; QUANTUM ELECTRONICS; RANGE FINDING; REGRESSION ANALYSIS; SYNTHESIS (CHEMICAL); WAVE FUNCTIONS;

REACTION RATES;

EID: 69249189455     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3202438     Document Type: Article

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