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Open access Oct 2026

Localized nonadiabatic coupling controls coherent dynamics at conical intersections

Conical intersections (CIs) govern ultrafast radiationless relaxation in molecular excitedstates, yet most reduced vibronic models treat interstate coupling as spatially delocalized across the branching space. Here, we investigate how confining the nonadiabatic coupling to a localized region around the CI modifies po...

En-Hu He, Qiang Zhang, Meng-Yuan Cui et al. · 0 citations
Preprint Aug 2026

Quantum Vibronic Dynamics Shape Catalytically Relevant Au-Ligand Interfaces in Atomically Precise Gold Nanoclusters

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
Open access Sep 2026

Nonadiabatic Vibronic Dynamics at a Conical Intersection with Morse Potentials

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 nuc...

Jing-Wen Li, Qiang Zhang, Pan-Pan Zhang et al. · 0 citations

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