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Keywords
(9)
cumulant
Energy Transfer
Nonlinear Dynamics and Chaos
Periodic Orbit
Phase Space
Reaction Rate
Theory and Modeling
Transition State Theory
Transition State
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Periodicorbit formula for quantum reactions through transition states
Periodicorbit formula for quantum reactions through transition states,10.1103/PhysRevA.82.012707,Physical Review A,Roman Schubert,Holger Waalkens,Ars
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Periodicorbit formula for quantum reactions through transition states
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Roman Schubert
,
Holger Waalkens
,
Arseni Goussev
,
Stephen Wiggins
Transition state theory
forms the basis of computing reaction rates in chemical and other systems. Recently, it has been shown how
transition state theory
can rigorously be realized in
phase space
by using an explicit algorithm. The quantization has been demonstrated to lead to an efficient procedure to compute cumulative reaction probabilities and the associated GamovSiegert resonances. In this paper, these results are used to express the cumulative reaction probability as an absolutely convergent sum over periodic orbits contained in the transition state.
Journal:
Physical Review A  PHYS REV A
, vol. 82, no. 1, 2010
DOI:
10.1103/PhysRevA.82.012707
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References
(1)
Normally Hyperbolic Invariant Manifolds in Dynamical Systems
(
Citations: 150
)
S Wiggins
Published in 1994.