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Updated: Dec 23, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

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On the origin of the shift between vertical excitation and band maximum in molecular photoabsorption

Shuming Bai1,2, Ritam Mansour3, Ljiljana Stojanović3,4

  • 1Aix Marseille University, CNRS, ICR, Marseille, France. shuming.bai@duke.edu.

Journal of Molecular Modeling
|April 23, 2020
PubMed

Keywords:
Absorption cross-sectionExcited statesSpectrum simulationVertical excitations

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