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http://hdl.handle.net/1942/27756
Title: | The influence of absorbing boundary condtions on the transition path time statistics | Authors: | Caroglio, Michele PUT, Stefanie Carlon, Enrico VANDERZANDE, Carlo |
Issue Date: | 2018 | Source: | PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 20(40), p. 25676-25682 | 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 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. | Notes: | Vanderzande, C (reprint author), Katholieke Univ Leuven, Inst Theoret Phys, Celestijnenlaan 200D, B-3001 Leuven, Belgium. carlo.vanderzande@uhasselt.be | Document URI: | http://hdl.handle.net/1942/27756 | ISSN: | 1463-9076 | e-ISSN: | 1463-9084 | DOI: | 10.1039/c8cp04322a | ISI #: | 000448345800013 | Category: | A1 | Type: | Journal Contribution | Validations: | ecoom 2019 |
Appears in Collections: | Research publications |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
1807.03011.pdf | Non Peer-reviewed author version | 1.94 MB | Adobe PDF | View/Open |
c8cp04322a.pdf Restricted Access | Published version | 2.64 MB | Adobe PDF | View/Open Request a copy |
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