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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Benchmarking Time-Dependent Density Functional Theory for Excited State Geometries of Organic Molecules in Gas-Phase

Ciro A Guido1, Stefan Knecht2, Jacob Kongsted2

  • 1Laboratoire Structures, Propriétés et Modélisation des Solides (SPMS), CNRS UMR 8580, École Centrale Paris , Grande Voie des Vignes, F-92295 Châtenay-Malabry, France.

Journal of Chemical Theory and Computation
|November 20, 2015
PubMed

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