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Abstract

A molecular scale model for charge transport in organic semiconductors based on quantum chemistry is presented. It is formulated as a stochastic model on the integer lattice in three dimensions. The model is treated with probabilistic methods, which allow to prove a continuous scaling limit, especially suited for intermediate regiemes, i.e. low temperatures, large energetic disorder and small devices. The scaling limit is connected to a certain integro-differential equation. Both, the microscopic model and the scaling limit are computationally studied and it is demonstrated that the proposed model can explain dispersive effects in thin film organic semiconductor devices.