Transition state theory and dynamical corrections in ergodic systems

Fabio A. Tal, Eric Vanden Eijnden

Research output: Contribution to journalArticle

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 languageEnglish (US)
Pages (from-to)501-509
Number of pages9
JournalNonlinearity
Volume19
Issue number2
DOIs
StatePublished - Feb 1 2006

Fingerprint

Transition State
Dynamical systems
Dynamical system
Hamiltonians
dynamical systems
Rate Constant
Riemannian Manifold
Rate constants
Vector Field
Context

ASJC Scopus subject areas

  • Mathematics(all)
  • Applied Mathematics
  • Statistical and Nonlinear Physics
  • Mathematical Physics

Cite this

Transition state theory and dynamical corrections in ergodic systems. / Tal, Fabio A.; Vanden Eijnden, Eric.

In: Nonlinearity, Vol. 19, No. 2, 01.02.2006, p. 501-509.

Research output: Contribution to journalArticle

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