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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Quantum flux densities for electronic-nuclear motion: exact versus Born-Oppenheimer dynamics

Thomas Schaupp1, Volker Engel1

  • 1Universität Würzburg, Institut für Physikalische und Theoretische Chemie, Emil-Fischer-Strasse 42, Würzburg 97074, Germany.

Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|March 28, 2022
PubMed

Keywords:
Born–Oppenheimer approximationEhrenfest theoremflux densities

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