Real-time computational simulations are promising tools for investigating ultrafast and nanoscale dynamical phenomena because of the absence of limitations in spatial and temporal resolutions. In this talk, we will introduce our efficient computational simulation technique for coupled electronic–nuclear dynamics and show how it can provide the microscopic insights into dynamic exciton phenomena such as exciton dissociation at donor–acceptor interfaces.
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Hiroki Uratani (2024) studied this question.
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