Transition state theory and dynamical corrections in ergodic systems

被引:11
|
作者
Tal, FA
Vanden-Eijnden, E
机构
[1] NYU, Courant Inst, New York, NY 10012 USA
[2] Univ Sao Paulo, Inst Matemat & Estatist, Sao Paulo, Brazil
关键词
D O I
10.1088/0951-7715/19/2/014
中图分类号
O29 [应用数学];
学科分类号
070104 ;
摘要
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.
引用
收藏
页码:501 / 509
页数:9
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