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On the equivalence between the microscopic frictional theory and transition-state theory

โœ Scribed by Masataka Nagaoka; Naoto Yoshida; Tokio Yamabe

Publisher
John Wiley and Sons
Year
1996
Tongue
English
Weight
618 KB
Volume
60
Category
Article
ISSN
0020-7608

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โœฆ Synopsis

The generalized Langevin equations are presented by considering such microscopic motions of molecules described by the microscopic Hamiltonian whose potential function is quadratic and internal degree of freedom is multidimensional. Considering the long time behavior of the reactive mode, the Grote-Hynes equation has been derived from the generalized Langevin equations. Furthermore, we have proved that solving the Grote-Hynes equation is equivalent to solving the eigenvalue problem for the whole system, and then the Grote-Hynes treatment coincides with the transition-state theory for the whole system. 0

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