73 citations · 523 across the 34 of their papers we have counts for
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The Flux-Flux Correlation Function for Anharmonic Barriers
Arseni Goussev, Roman Schubert, Holger Waalkens +1
The flux-flux correlation function formalism is a standard and widely used approach for the computation of reaction rates. In this paper we introduce a method to compute the classi…
Holonomy reduced dynamics of triatomic molecular systems
Ünver Çiftçi, Holger Waalkens
Whereas it is easy to reduce the translational symmetry of a molecular system by using, e.g., Jacobi coordinates the situation is much more involved for the rotational symmetry. In…
Quantum Theory of Reactive Scattering in Phase Space
Arseni Goussev, Roman Schubert, Holger Waalkens +1
We review recent results on quantum reactive scattering from a phase space perspective. The approach uses classical and quantum versions of normal form theory and the perspective o…
A periodic orbit formula for quantum reactions through transition states
Roman Schubert, Holger Waalkens, Arseni Goussev +1
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…