Transition state theory and dynamical corrections in ergodic systems

Fabio A. Tal; Eric Vanden-Eijnden

doi:10.1088/0951-7715/19/2/014

Transition state theory and dynamical corrections in ergodic systems

Fabio A. Tal, Eric Vanden-Eijnden

Mathematics

Research output: Contribution to journal › Article › peer-review

Abstract

The results of transition state theory are derived rigorously in the general context of ergodic dynamical systems defined by a vector field on a Riemannian manifold. A new perspective on how to compute the dynamical corrections to the transition state theory transition frequency is given. Hamiltonian dynamical systems are considered a special case and the so-called Marcus formula for the rate constant is re-derived.

Original language	English (US)
Pages (from-to)	501-509
Number of pages	9
Journal	Nonlinearity
Volume	19
Issue number	2
DOIs	https://doi.org/10.1088/0951-7715/19/2/014
State	Published - Feb 1 2006

ASJC Scopus subject areas

Statistical and Nonlinear Physics
Mathematical Physics
General Physics and Astronomy
Applied Mathematics

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10.1088/0951-7715/19/2/014

Cite this

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abstract = "The results of transition state theory are derived rigorously in the general context of ergodic dynamical systems defined by a vector field on a Riemannian manifold. A new perspective on how to compute the dynamical corrections to the transition state theory transition frequency is given. Hamiltonian dynamical systems are considered a special case and the so-called Marcus formula for the rate constant is re-derived.",

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Transition state theory and dynamical corrections in ergodic systems

Abstract

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