most citedConformational Dynamics Guides Coherent Exciton Migration in Conjugated Polymer Materials: A First-Principles Quantum Dynamical Study

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cond-mat.mtrl-sci2017★ 61 cited

Conformational Dynamics Guides Coherent Exciton Migration in Conjugated Polymer Materials: A First-Principles Quantum Dynamical Study

Robert Binder, David Lauvergnat, Irene Burghardt

We report on high-dimensional quantum dynamical simulations of torsion-induced exciton migration in a single-chain oligothiophene segment comprising twenty repeat units, using a fi…