Communications Chemistry (Apr 2021)

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

  • Thierry Tran,
  • Graham A. Worth,
  • Michael A. Robb

DOI
https://doi.org/10.1038/s42004-021-00485-3
Journal volume & issue
Vol. 4, no. 1
pp. 1 – 10

Abstract

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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.