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Updated: Feb 26, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Reply to "Molecular mechanics models for the image charge"
1Department of Chemical Sciences, University of Padova, v.Marzolo 1, Padova, Italy, 35131 & CNR-NANO Modena, v.Campi 213/a, Modena, 41125, Italy.
Abstract:
We have considered the system investigated by Steinmann et al. by means of the image charge model originally proposed in Iori and Corni, J. Comput. Chem. 2008, 29, 1656. Qualitatively correct results are obtained, that compare favorably with the relevant analytical benchmarks. We show that the effect of the asymmetry of the rod model can be controlled, when needed, as originally suggested, that is, by shorter rods. This strategy does not increase neither the complexity of the model nor its computational cost. © 2017 Wiley Periodicals, Inc.
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