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Updated: May 25, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Published on: May 27, 2020

General Expression for Vibronic Coupling in Proton-Coupled Energy Transfer

Kai Cui1, Sharon Hammes-Schiffer1

  • 1Department of Chemistry, Princeton University, Princeton, New Jersey 08544, United States.

Journal of Chemical Theory and Computation
|May 24, 2026
PubMed
Summary

We derived an analytical expression for vibronic coupling in proton-coupled energy transfer (PCEnT). This new theory quantifies direct and indirect interactions, crucial for understanding energy transfer mechanisms in chemical reactions.

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