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Updated: Mar 3, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Effective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: VPT2-TDDFT Route

Franco Egidi1, David B Williams-Young2, Alberto Baiardi1

  • 1Scuola Normale Superiore , Piazza dei Cavalieri 7, 56126 Pisa, Italy.

Journal of Chemical Theory and Computation
|April 29, 2017
PubMed

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