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The influence of absorbing boundary condtions on the transition path time statistics

Journal Contribution - Journal Article

We derive an analytical expression for the transition path time (TPT) distribution for a one-dimensional particle crossing a parabolic barrier. The solution is expressed in terms of the eigenfunctions and eigenvalues of the associated Fokker-Planck equation. The particle exhibits anomalous dynamics generated by a power-law memory kernel, which includes memoryless Markovian dynamics as a limiting case. Our result takes into account absorbing boundary conditions, extending existing results obtained for free boundaries. We show that TPT distributions obtained from numerical simulations are in excellent agreement with analytical results, while the typically employed free boundary conditions lead to a systematic overestimation of the barrier height. These findings may be useful in the analysis of experimental results on the transition path time. A web tool to perform this analysis is freely available.
Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
ISSN: 1463-9076
Issue: 40
Volume: 20
Pages: 25676 - 25682
Publication year:2018
BOF-keylabel:yes
IOF-keylabel:yes
BOF-publication weight:2
CSS-citation score:1
Authors from:Higher Education
Accessibility:Open