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We present the CAM (Coulomb Attenuated Method)-B3LYP functional tuned for excitation energies and properties of diarylethene derivatives in the time-dependent density functional theory (TD-DFT) scheme. The CAM-B3LYP parameters are tuned so as to well reproduce the experimental excitation energies and properties of a prototypical diarylethene derivative. The TD-DFT method with the tuned CAM-B3LYP parameters...
The quantum master equation approach involving weak exciton–phonon coupling has been applied to the investigation of the exciton recurrence motion in molecular aggregate models with dendritic structures. Each monomer in the models is assumed to be a dipole unit (a two-state monomer) coupled with each other by the dipole–dipole interaction. Two types of the dendritic molecular aggregates, which have...
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