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Nonadiabatic Couplings Can Speed Up Quantum Tunneling Transition Path Times

[Image: see text] Quantum tunneling is known to play an important role in the dynamics of systems with nonadiabatic couplings. However, until recently, the time-domain properties of nonadiabatic scattering have been severely under-explored. Using numerically exact quantum methods, we study the impac...

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Autores principales: Rivlin, Tom, Pollak, Eli
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9677498/
https://www.ncbi.nlm.nih.gov/pubmed/36342976
http://dx.doi.org/10.1021/acs.jpclett.2c03008
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author Rivlin, Tom
Pollak, Eli
author_facet Rivlin, Tom
Pollak, Eli
author_sort Rivlin, Tom
collection PubMed
description [Image: see text] Quantum tunneling is known to play an important role in the dynamics of systems with nonadiabatic couplings. However, until recently, the time-domain properties of nonadiabatic scattering have been severely under-explored. Using numerically exact quantum methods, we study the impact that nonadiabatic couplings have on the time it takes to tunnel through a barrier. We find that the Wigner phase time is the appropriate measure to use when determining the tunneling flight time also when considering nonadiabatic systems. The central result of the present study is that in an avoided crossing system in one dimension, the nonadiabatic couplings speed up the tunneling event, relative to the adiabatic case in which all nonadiabatic coupling is ignored. This has implications for both the study of quantum tunneling times and for the field of nonadiabatic scattering and chemistry.
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spelling pubmed-96774982022-11-22 Nonadiabatic Couplings Can Speed Up Quantum Tunneling Transition Path Times Rivlin, Tom Pollak, Eli J Phys Chem Lett [Image: see text] Quantum tunneling is known to play an important role in the dynamics of systems with nonadiabatic couplings. However, until recently, the time-domain properties of nonadiabatic scattering have been severely under-explored. Using numerically exact quantum methods, we study the impact that nonadiabatic couplings have on the time it takes to tunnel through a barrier. We find that the Wigner phase time is the appropriate measure to use when determining the tunneling flight time also when considering nonadiabatic systems. The central result of the present study is that in an avoided crossing system in one dimension, the nonadiabatic couplings speed up the tunneling event, relative to the adiabatic case in which all nonadiabatic coupling is ignored. This has implications for both the study of quantum tunneling times and for the field of nonadiabatic scattering and chemistry. American Chemical Society 2022-11-07 2022-11-17 /pmc/articles/PMC9677498/ /pubmed/36342976 http://dx.doi.org/10.1021/acs.jpclett.2c03008 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Rivlin, Tom
Pollak, Eli
Nonadiabatic Couplings Can Speed Up Quantum Tunneling Transition Path Times
title Nonadiabatic Couplings Can Speed Up Quantum Tunneling Transition Path Times
title_full Nonadiabatic Couplings Can Speed Up Quantum Tunneling Transition Path Times
title_fullStr Nonadiabatic Couplings Can Speed Up Quantum Tunneling Transition Path Times
title_full_unstemmed Nonadiabatic Couplings Can Speed Up Quantum Tunneling Transition Path Times
title_short Nonadiabatic Couplings Can Speed Up Quantum Tunneling Transition Path Times
title_sort nonadiabatic couplings can speed up quantum tunneling transition path times
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9677498/
https://www.ncbi.nlm.nih.gov/pubmed/36342976
http://dx.doi.org/10.1021/acs.jpclett.2c03008
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