Control of nuclear dynamics in the benzene cation by electronic wavepacket composition

Interpreting ultrafast non-adiabatic vibronic processes of complex systems such as the excited benzene cation remains highly challenging. Here, a computational model is reported, where non-adiabatic events are seen far from a conical intersection and are controlled by electron dynamics involving a s...

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Autores principales: Thierry Tran, Graham A. Worth, Michael A. Robb
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2021
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Acceso en línea:https://doaj.org/article/8d3ca6c20470412dbb479295bae9eabf
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spelling oai:doaj.org-article:8d3ca6c20470412dbb479295bae9eabf2021-12-02T18:17:37ZControl of nuclear dynamics in the benzene cation by electronic wavepacket composition10.1038/s42004-021-00485-32399-3669https://doaj.org/article/8d3ca6c20470412dbb479295bae9eabf2021-04-01T00:00:00Zhttps://doi.org/10.1038/s42004-021-00485-3https://doaj.org/toc/2399-3669Interpreting ultrafast non-adiabatic vibronic processes of complex systems such as the excited benzene cation remains highly challenging. Here, a computational model is reported, where non-adiabatic events are seen far from a conical intersection and are controlled by electron dynamics involving a superposition of non-adjacent adiabatic states.Thierry TranGraham A. WorthMichael A. RobbNature PortfolioarticleChemistryQD1-999ENCommunications Chemistry, Vol 4, Iss 1, Pp 1-10 (2021)
institution DOAJ
collection DOAJ
language EN
topic Chemistry
QD1-999
spellingShingle Chemistry
QD1-999
Thierry Tran
Graham A. Worth
Michael A. Robb
Control of nuclear dynamics in the benzene cation by electronic wavepacket composition
description Interpreting ultrafast non-adiabatic vibronic processes of complex systems such as the excited benzene cation remains highly challenging. Here, a computational model is reported, where non-adiabatic events are seen far from a conical intersection and are controlled by electron dynamics involving a superposition of non-adjacent adiabatic states.
format article
author Thierry Tran
Graham A. Worth
Michael A. Robb
author_facet Thierry Tran
Graham A. Worth
Michael A. Robb
author_sort Thierry Tran
title Control of nuclear dynamics in the benzene cation by electronic wavepacket composition
title_short Control of nuclear dynamics in the benzene cation by electronic wavepacket composition
title_full Control of nuclear dynamics in the benzene cation by electronic wavepacket composition
title_fullStr Control of nuclear dynamics in the benzene cation by electronic wavepacket composition
title_full_unstemmed Control of nuclear dynamics in the benzene cation by electronic wavepacket composition
title_sort control of nuclear dynamics in the benzene cation by electronic wavepacket composition
publisher Nature Portfolio
publishDate 2021
url https://doaj.org/article/8d3ca6c20470412dbb479295bae9eabf
work_keys_str_mv AT thierrytran controlofnucleardynamicsinthebenzenecationbyelectronicwavepacketcomposition
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AT michaelarobb controlofnucleardynamicsinthebenzenecationbyelectronicwavepacketcomposition
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