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The influence of absorbing boundary conditions on the transition path times statistics

Authors :
Caraglio, Michele
Put, Stefanie
Carlon, Enrico
Vanderzande, Carlo
Source :
Phys. Chem. Chem. Phys. 20, 25676 (2018)
Publication Year :
2018

Abstract

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 performs an 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 transition path times. A web tool to perform this analysis is freely available.<br />Comment: 7 pages; 6 figures

Details

Database :
arXiv
Journal :
Phys. Chem. Chem. Phys. 20, 25676 (2018)
Publication Type :
Report
Accession number :
edsarx.1807.03011
Document Type :
Working Paper
Full Text :
https://doi.org/10.1039/C8CP04322A