Excited-state dynamics of molecules with classically driven trajectories and Gaussians
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DOI: 10.1080/00268976.2019.1665199
Abstract: ABSTRACT Simulating the dynamics of a molecule initiated in an excited electronic state constitutes a rather challenging task for theoretical and computational chemistry, as such dynamics leads to a strong coupling between nuclear motion and… read more here.
Keywords: state; excited state; state dynamics; classically driven ... See more keywords