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Updated: Jul 1, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Triplet Excitation-Energy Transfer Couplings from Subsystem Time-Dependent Density-Functional Theory

Sabine Käfer1, Niklas Niemeyer1, Johannes Tölle2

  • 1Organisch-Chemisches Institut and Center for Multiscale Theory and Computation, University of Münster, Corrensstraße 36, Münster 48149, Germany.

Journal of Chemical Theory and Computation
|March 7, 2024
PubMed

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