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Updated: Aug 12, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Modeling Excited-State Proton Transfer Using the Lindblad Equation: Quantification of Time-Resolved Spectroscopy with

Luhao Zhang1, Francesca Fassioli1,2, Bo Fu1

  • 1Department of Chemistry, Princeton University, Princeton, New Jersey08544, United States.

ACS Physical Chemistry Au
|January 31, 2023
PubMed
Summary

This study explores excited-state intramolecular proton transfer (ESIPT) dynamics using quantum simulations. The findings reveal simultaneous electronic and proton dynamics, crucial for interpreting time-resolved spectroscopy data.

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