Electronic decoherence in condensed phases Original Research Article

The impact of electronic decoherence on electronic dynamics, and electron transfer (ET) reactions in particular, in condensed phase environments is discussed. Analytical expressions are considered for a common model system in which ET occurs between relatively displaced harmonic surfaces. We identify a relationship in the semi-classical Marcus limit between electronic decoherence and the Wigner distribution of nuclear configurations. Generalization to more complex surfaces is discussed. Additionally, we discuss electronic decoherence for ET via so-called bridge sites in materials, for both direct (superexchange) mechanisms and sequential mechanisms of ET. Quantitative simulation studies of factors affecting characteristic decoherence times for ET in solution are also presented and discussed.