Accurate quantum-mechanical rate constants for a linear response Azzouz-Borgis proton transfer model employing the multilayer multiconfiguration time-dependent Hartree approach

Journal of Chemical Physics

Volumn 135, Issue 6, 2011, Pages

  Craig, Ian R ^a   Thoss, Michael ^b   Wang, Haobin ^c,d  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^b UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

^c NEW MEXICO STATE UNIVERSITY   (United States)

^d BEIJING COMPUTATIONAL SCIENCE RESEARCH CENTER   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMISTIC POTENTIAL; CLASSICAL DYNAMICS; CONDENSED PHASE; CORRELATION FUNCTION; HARTREE APPROACH; IMPORTANCE SAMPLING; LINEAR RESPONSE; MULTICONFIGURATION; POLAR SOLVENTS; QUANTUM DYNAMICS; QUANTUM MECHANICAL; THERMAL RATE CONSTANT; TIME-DEPENDENT;

DYNAMICS; MULTILAYERS; PROTON TRANSFER; QUANTUM THEORY;

RATE CONSTANTS;

EID: 80051877129     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3624342     Document Type: Article

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