11-67 Raoul Bourquin, Vasile Gradinaru, George A. Hagedorn

Non-Adiabatic Transitions near Avoided Crossings: Theory and Numerics (1762K, pdf) Apr 29, 11

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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.

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