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Published in 2019 at "Molecular Physics"
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…
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Keywords:
state;
excited state;
state dynamics;
classically driven ... See more keywords