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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...

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Autores principales: Davidsson, Eric, Kowalewski, Markus
Formato: Online Artículo Texto
Lenguaje:English
Publicado: 2020
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.
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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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