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Simulating photodissociation reactions in bad cavities with the Lindblad equation
Optical cavities, e.g., as used in organic polariton experiments, often employ low finesse mirrors or plasmonic structures. The photon lifetime in these setups is comparable to the timescale of the nuclear dynamics governing the photochemistry. This highlights the need for including the effect of di...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7116731/ https://www.ncbi.nlm.nih.gov/pubmed/33353334 http://dx.doi.org/10.1063/5.0033773 |
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author | Davidsson, Eric Kowalewski, Markus |
author_facet | Davidsson, Eric Kowalewski, Markus |
author_sort | Davidsson, Eric |
collection | PubMed |
description | Optical cavities, e.g., as used in organic polariton experiments, often employ low finesse mirrors or plasmonic structures. The photon lifetime in these setups is comparable to the timescale of the nuclear dynamics governing the photochemistry. This highlights the need for including the effect of dissipation in the molecular simulations. In this study, we perform wave packet dynamics with the Lindblad master equation to study the effect of a finite photon lifetime on the dissociation of the MgH(+) molecule model system. Photon lifetimes of several different orders of magnitude are considered to encompass an ample range of effects inherent to lossy cavities. |
format | Online Article Text |
id | pubmed-7116731 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
record_format | MEDLINE/PubMed |
spelling | pubmed-71167312021-02-11 Simulating photodissociation reactions in bad cavities with the Lindblad equation Davidsson, Eric Kowalewski, Markus J Chem Phys Article Optical cavities, e.g., as used in organic polariton experiments, often employ low finesse mirrors or plasmonic structures. The photon lifetime in these setups is comparable to the timescale of the nuclear dynamics governing the photochemistry. This highlights the need for including the effect of dissipation in the molecular simulations. In this study, we perform wave packet dynamics with the Lindblad master equation to study the effect of a finite photon lifetime on the dissociation of the MgH(+) molecule model system. Photon lifetimes of several different orders of magnitude are considered to encompass an ample range of effects inherent to lossy cavities. 2020-12-21 /pmc/articles/PMC7116731/ /pubmed/33353334 http://dx.doi.org/10.1063/5.0033773 Text en https://creativecommons.org/licenses/by/4.0/ All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Davidsson, Eric Kowalewski, Markus Simulating photodissociation reactions in bad cavities with the Lindblad equation |
title | Simulating photodissociation reactions in bad cavities with the Lindblad equation |
title_full | Simulating photodissociation reactions in bad cavities with the Lindblad equation |
title_fullStr | Simulating photodissociation reactions in bad cavities with the Lindblad equation |
title_full_unstemmed | Simulating photodissociation reactions in bad cavities with the Lindblad equation |
title_short | Simulating photodissociation reactions in bad cavities with the Lindblad equation |
title_sort | simulating photodissociation reactions in bad cavities with the lindblad equation |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7116731/ https://www.ncbi.nlm.nih.gov/pubmed/33353334 http://dx.doi.org/10.1063/5.0033773 |
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