Abstract:The dynamics of the nuclei of both chromophore and its condensed phase environment control many spectral features, including the vibronic and inhomogeneous broadening present in spectral lineshapes. For the cresyl violet chromophore in methanol, we here analyze and isolate the effect of specific chromophore-solvent interactions on simulated spectral densities, reorganization energies, and linear absorption spectra. Employing both force field and ab initio molecular dynamics trajectories along with the inclusio… Show more
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