All-DFTB Approach to the Parametrization of the System-Bath Hamiltonian Describing Exciton-Vibrational Dynamics of Molecular Assemblies

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P. A. Plotz, J. Megow, Thomas Niehaus, O. Kuhn. All-DFTB Approach to the Parametrization of the System-Bath Hamiltonian Describing Exciton-Vibrational Dynamics of Molecular Assemblies. Journal of Chemical Theory and Computation, 2018, 14, pp.5001-5010. ⟨10.1021/acs.jctc.8b00493⟩. ⟨hal-02290267⟩

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