Polaron dynamics in highly ordered molecular crystals

Abstract From a numerical solution of the time-dependent Schrodinger equation and the lattice equation of motion we obtain a microscopic picture of polaron transport in highly ordered molecular crystals in the presence of an external electric field. We have chosen the pentacene single crystal as a model system, but study the transport as a function of the intermolecular interaction strength, J . We observe a smooth transition from a nonadiabatic to an adiabatic polaronic drift process over the regime 20  J

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