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Non-adiabatic transitions near avoided crossings: theory and numerics

by R. Bourquin and V. Gradinaru and G. A. Hagedorn

(Report number 2011-33)

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.

Keywords:

@Techreport{BGH11_123,
  author = {R. Bourquin and V. Gradinaru and G. A. Hagedorn},
  title = {Non-adiabatic transitions near avoided crossings: theory and numerics},
  institution = {Seminar for Applied Mathematics, ETH Z{\"u}rich},
  number = {2011-33},
  address = {Switzerland},
  url = {https://www.sam.math.ethz.ch/sam_reports/reports_final/reports2011/2011-33.pdf },
  year = {2011}
}

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