On the use of Feynman–Hibbs effective potentials to calculate quantum mechanical free energies of activation
- 1 March 1991
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 94 (5) , 4095-4096
- https://doi.org/10.1063/1.460640
Abstract
The use of Feynman–Hibbs effective potentials to estimate quantum mechanical free energies of activation is shown to be a well defined approximation to a more accurate version of quantum activated rate theory. The potential pitfalls of employing such an approximation are also discussed.Keywords
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