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Updated: Jun 15, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Molecular donor-acceptor linked systems as models for examining their interactions in excited states
Hiroshi Imahori1,2,3, Midori Akiyama1
1Department of Molecular Engineering, Graduate School of Engineering, Kyoto University, Nishikyo-ku, Kyoto 615-8510, Japan.
Abstract:
Molecular donor-acceptor (D-A) linked systems have attracted significant attention due to their potential to address D-A interactions in excited states. In these systems, it is crucial to understand the interplay between electrons and spin behaviors, atomic nucleus movements (including vibration, rotation, fluctuation, and transfer), and collective motion (electron-phonon coupling) over time. Through intentional manipulation of locally excited, charge-transfer excited, and charge-separated states, along with modulation of dynamic effects (enhancement or restraint), we expect to unlock the full potential of D-A systems for photofunctions in electronics, energy, healthcare, and functional materials. In this perspective, we present our recent examples of D-A linked systems and related ones that address the aforementioned issues as part of our "Dynamic Exciton" research project in Japan.
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