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Reaction rate calculation for dissipative systems using invariant manifolds
Citation
Revuelta Peña, Fabio 
ORCID: https://orcid.org/0000-0002-2410-5881, Bartsch, Thomas, Benito Zafrilla, Rosa Maria ORCID: https://orcid.org/0000-0003-3949-8232 and Borondo Rodríguez, Florentino
(2013).
Reaction rate calculation for dissipative systems using invariant manifolds.
In: "XXXIII Dynamics Days Europe", 03/06/2013-07/06/2013, Madrid, España. ISBN 9788415302438. p. 1.
Description
| Title: | Reaction rate calculation for dissipative systems using invariant manifolds |
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| Author/s: |
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| Item Type: | Presentation at Congress or Conference (Poster) |
| Event Title: | XXXIII Dynamics Days Europe |
| Event Dates: | 03/06/2013-07/06/2013 |
| Event Location: | Madrid, España |
| Title of Book: | XXXIII Dynamics Days Europe. Book of Abstracts |
| Date: | July 2013 |
| ISBN: | 9788415302438 |
| Subjects: | |
| Faculty: | E.T.S. de Ingeniería Agronómica, Alimentaria y de Biosistemas (UPM) |
| Department: | Otro |
| Creative Commons Licenses: | Recognition - No derivative works - Non commercial |
Abstract
In this communication, we report on a new method that allows the identification of reactive trajectories exactly in anharmonic systems that interact with their environments without the need of any computationally costly numerical simulation. The method is based on the existence of geometrical structures (invariant manifolds) that act as separatrices of phase space. Further, we have succeeded in computing exact reaction rates; this has allowed us to calculate analytic corrections to the famous Kramer's formula due to the nonlinearities of the system.
More information
| Item ID: | 62387 |
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| DC Identifier: | https://oa.upm.es/62387/ |
| OAI Identifier: | oai:oa.upm.es:62387 |
| Deposited by: | Memoria Investigacion |
| Deposited on: | 26 Mar 2020 15:45 |
| Last Modified: | 27 Mar 2020 12:17 |
