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Updated: Jun 21, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Modeling Xanthophyll Excited States via Cost-Effective Quantum Chemistry methods and Property-Based Diabatization

Amanda Arcidiacono1, Valentino Martini1, Lorenzo Cupellini1

  • 1Dipartimento di Chimica e Chimica Industriale, Università di Pisa, via G. Moruzzi 13, Pisa 56124, Italy.

Journal of Chemical Theory and Computation
|June 20, 2026
PubMed
Summary

Accurately modeling xanthophyll carotenoids

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