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Organic excimers of pyrene and benzene and an exciplex of styrene with trimethylamine are studied by time-dependent density functional theory (TD-DFT). The performance of the method was first benchmarked on noble gas excimers. Potential curves for low-lying excited states of Ne 2 and Kr 2 are computed using the hybrid functional BH-LYP and the semi-local B-LYP GGA functional. In order...
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