Transition state theory and dynamical corrections in ergodic systems

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Published 6 January 2006 • 2006 IOP Publishing Ltd and London Mathematical Society
, , Citation Fabio A Tal and Eric Vanden-Eijnden 2006 Nonlinearity 19 501 DOI 10.1088/0951-7715/19/2/014

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Author affiliations

1 Instituto de Matemática e Estatística, Universidade de São Paulo, São Paulo, Brazil

2 Courant Institute, New York University, New York, USA

3 Authors to whom any correspondence should be addressed.

Dates

  1. Received 17 February 2005
  2. Published

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0951-7715/19/2/501

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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10.1088/0951-7715/19/2/014