Critical Comparison of Approximate and Accurate Quantum-mechanical Calculations of Rate Constants for a Model Activated Reaction in Solution

TitleCritical Comparison of Approximate and Accurate Quantum-mechanical Calculations of Rate Constants for a Model Activated Reaction in Solution
Publication TypeJournal Article
Year of Publication1992
AuthorsMcRae, RP, Schenter, GK, Garrett, BC, Haynes, GR, Voth, GA, Schatz, GC
JournalThe Journal of Chemical Physics
Volume97
Pagination7392-7404
KeywordsQUANTUM MECHANICS ACCURACY SOLUTIONS CHEMICAL REACTION KINETICS VARIATIONAL METHODS CORRECTIONS SEMICLASSICAL APPROXIMATION FEYNMAN PATH INTEGRAL HARMONIC OSCILLATORS
DOI10.1063/1.463511