Viewing electronic excitation transfer (EET) as a surface-crossing phenomenon suggests a strategy for external vibrational control over instantaneous donor-acceptor resonance conditions, which influence the time-course of EET and provide a potentially useful method for disentangling the effects of vibrational and electronic coherence in time-resolved spectroscopy signals. A general framework is considered for the first-principles calculation and interpretation of ultrafast electronic spectroscopy signals based on multidimensional electronic potential-energy surfaces and a system-bath decomposition between strongly and weakly Franck-Condon active nuclear modes.

Surface-crossing pictures of electronic energy transfer processes: Towards first-principles calculations of spectroscopic signals

244th National Meeting (2012)

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