Vibrationally resolved UV/Vis spectroscopy with time-dependent density functional based tight binding

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Submitted on : Tuesday, September 17, 2019 - 2:49:15 PM
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R. Ruger, Thomas Niehaus, Lenthe E. Van, T. Heine, L. Visscher. Vibrationally resolved UV/Vis spectroscopy with time-dependent density functional based tight binding. Journal of Chemical Physics, 2016, 145, pp.184102. ⟨10.1063/1.4966918⟩. ⟨hal-02290217⟩

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