Excitation Number: Characterizing Multiply Excited States.
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DOI: 10.1021/acs.jctc.7b00963
Abstract: How many electrons are excited in an electronic transition? In this Letter, we introduce the excitation number η to answer this question when the initial and final states are each modeled by a single-determinant wave… read more here.
Keywords: number characterizing; multiply excited; characterizing multiply; number ... See more keywords