Conical intersections (CIs) govern ultrafast radiationless relaxation in molecular excited states, but the dynamical consequences of the spatial extent of interstate coupling around a CI remain comparatively unexplored. Here, we investigate how confining the nonadiabatic coupling to a localized region around the CI mod...
En-Hu He, Qiang Zhang, Meng-Yuan Cui et al.· Journal of Physics B: Atomic...· 0 citations
Atomically precise gold nanoclusters are versatile for photocatalysis and energy conversion because their electronic structure stems from strong metal-ligand interactions. However, these interactions are mostly discussed statically, leaving dynamic reorganization of Au-ligand interfaces under photoexcitation unclear. W...
Meng-Yuan Cui, Tian-Rui Chen, Jun-Hua Zhou et al.· 0 citations
Conical intersections (CIs) are primary pathways for ultrafast nonradiative relaxation in photoexcited molecules, yet their spectroscopic signatures often reflect a complex interplay of electronic motion, vibrational dynamics, and environmental dephasing. This challenge becomes particularly significant when the nuclear...
Jing-Wen Li, Qiang Zhang, Pan-Pan Zhang et al.· Chinese Physics B· 0 citations
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