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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Bibliographic Details
Main Authors: Thierry Tran, Graham A. Worth, Michael A. Robb
Format: Article
Language:English
Published: Nature Portfolio 2021-04-01
Series:Communications Chemistry
Online Access:https://doi.org/10.1038/s42004-021-00485-3