Elucidation of Ultrafast Decay, Vibrational Beating, and Slow Decay Processes of Excited Azulene.

Azulene's nonradiative decay dynamics and kinetics from its singlet excited-states were studied using mixed-reference spin-flip time-dependent density functional theory (MRSF-TDDFT) combined with trajectory surface-hopping nonadiabatic molecular dyna…

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