21 citations · 99 across the 15 of their papers we have counts for
3 papers · 1 filter
Rate calculation with correlated noise
Thomas Bartsch, F. Revuelta, R. M. Benito +1
The usual identification of reactive trajectories for the calculation of reaction rates requires very time-consuming simulations, particularly if the environment presents memory ef…
Semiclassical basis sets for the computation of molecular vibrational states
F. Revuelta, E. Vergini, R. M. Benito +1
In this paper, we extend a method recently reported [Phys. Rev. E 87, 042921 (2012)] for the calculation of the eigestates of classically highly chaotic systems to cases of mixed d…
Transition State Theory for solvated reactions beyond recrossing-free dividing surfaces
F. Revuelta, Thomas Bartsch, P. L. Garcia-Muller +3
The accuracy of rate constants calculated using transition state theory depends crucially on the correct identification of a recrossing--free dividing surface. We show here that it…