108 citations · 965 across the 52 of their papers we have counts for
6 papers · 1 filter
Equilibration in fermionic systems
T. Bartsch, G. Wolschin
The time evolution of a finite fermion system towards statistical equilibrium is investigated using analytical solutions of a nonlinear partial differential equation that had been…
Reaction rate calculation with time-dependent invariant manifolds
Thomas Bartsch, F. Revuelta, R. M. Benito +1
The identification of trajectories that contribute to the reaction rate is the crucial dynamical ingredient in any classical chemical reactivity calculation. This problem often req…
Phase-space geometry of the generalized Langevin equation
Thomas Bartsch
The generalized Langevin equation is widely used to model the influence of a heat bath upon a reactive system. This equation will here be studied from a geometric point of view. A…
Identifying reactive trajectories using a moving transition state
Thomas Bartsch, T. Uzer, Jeremy M. Moix +1
A time-dependent no-recrossing dividing surface is shown to lead to a new criterion for identifying reactive trajectories well before they are evolved to infinite time. Numerical d…
Stochastic Transition States: Reaction Geometry amidst Noise
Thomas Bartsch, Rigoberto Hernandez, T. Uzer
Classical transition state theory (TST) is the cornerstone of reaction rate theory. It postulates a partition of phase space into reactant and product regions, which are separated…
The Transition State in a Noisy Environment
Thomas Bartsch, Rigoberto Hernandez, T. Uzer
Transition State Theory overestimates reaction rates in solution because conventional dividing surfaces between reagents and products are crossed many times by the same reactive tr…