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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Nature Portfolio
2021
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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) |
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Chemistry QD1-999 |
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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 AT grahamaworth controlofnucleardynamicsinthebenzenecationbyelectronicwavepacketcomposition AT michaelarobb controlofnucleardynamicsinthebenzenecationbyelectronicwavepacketcomposition |
_version_ |
1718378286908702720 |