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Non-adiabatic transitions near avoided crossings: theory and numerics |
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| Authors: | Raoul Bourquin Vasile Gradinaru George A. Hagedorn |
| Affiliation: | 1.Seminar for Applied Mathematics, ETH Zürich,Zürich,Switzerland;2.Department of Mathematics and Center for Statistical Mechanics, Mathematical Physics, and Theoretical Chemistry,Virginia Polytechnic Institute and State University,Blacksburg,USA |
| 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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