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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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To guess or not to guess excited state amplitudes during optimization and dynamics

D Vale Cofer-Shabica1, Vishikh Athavale1, Joseph E Subotnik1

  • 1Chemistry, University of Pennsylvania, 231S. 34 Street, Cret Wing 141D, Philadelphia, Pennsylvania 19104-6243, USA.

The Journal of Chemical Physics
|December 21, 2023
PubMed

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