Raoul Bourquin, Vasile Gradinaru, George A. Hagedorn
Non-Adiabatic Transitions near Avoided Crossings: Theory and Numerics
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ABSTRACT.  We present a review of rigorous mathematical results about non-adiabatic transitions in molecular systems that are associated with avoided crossings of electron energy level surfaces. We then present a novel numerical technique for studying these transitions that is based on expansions in semiclassical wavepackets.