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Dynamics of Charge and energy transport: what's the reaction coordinate?

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If you have a question about this talk, please contact Jan Anton Koster.

Today’s seminar will focus entirely upon quantum condensed phase dynamics, specifically we ask “How do nuclear motions tune and control the electronic states before, during, and following a quantum transition?” I will discuss our recent work in developing both approximate non-Markovian and time-local theories for computing transition rates and decoherence envelopes as well as the use of numerically exact approaches for solving the time-dependent Schrodinger eq in systems with up to 30 vibrational degrees of freedom and 3 electronic states. We have applied these techniques to a number of systems, most recently to the TFB :F8BT polymer heterojunction. I will comment briefly upon the effect of stacking on the electron transfer rates between polymers, the role of intermediate (dark) exciplex states, and the role of slow vs. fast nuclear motions in determining the transfer dynamics.

This talk is part of the Optoelectronics Group series.

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