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Nonuniform Screening Reshapes Collective Excitons in Molecular Aggregates from Stochastic Bethe-Salpeter Theory

Li, Barry Y. et al.
arXiv (All) · Papers
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atomic-and-molecular-clusterschemical-physics
We build and apply an $\textit{ab initio}$ stochastic Bethe-Salpeter Equation (sBSE) approach to planar cyanine dye aggregate clusters containing up to 2,856 valence electrons. Using a transferable, parameterized screened exchange kernel, we resolve dielectric response, exciton delocalization, and o
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