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Abstract
Molecular aggregates are well known for their customizable optical properties. Vibronic coupling in monomers forming such aggregates offers rich opportunities for property tuning. We study generic molecular aggregate models of growing complexity (from a dimer up to a decamer) and report how vibronic coupling affects aggregate fluorescence intensity. The total aggregate fluorescence intensity is a measure sensitive to both vibronic coupling and Coulomb coupling between monomer transition densities. Using an exact diagonalization approach in the two-particle basis set, we show how the interplay between Coulomb and vibronic coupling affects aggregate fluorescence. Moreover, for H-aggregates we predict a periodic variation of the fluorescence intensity with aggregate size and show that vibronic interaction decreases the effect.
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1 Institute of Nanotechnology, Spectroscopy and Quantum Chemistry, Siberian Federal University, Krasnoyarsk, 660041, Russia; Department of Theoretical Chemistry and Biology, KTH Royal Institute of Technology, Stockholm, Sweden
2 Institute of Nanotechnology, Spectroscopy and Quantum Chemistry, Siberian Federal University, Krasnoyarsk, 660041, Russia