Energy level crossings in molecular dynamics

نویسندگان

  • F. Bornemann
  • C. Lasser
  • T. Swart
چکیده

Energy level crossings are the landmarks that separate classical from quantum mechanical modeling of molecular systems. They induce non-adiabatic transitions between the otherwise adiabatically decoupled electronic level spaces. This review covers results on the analysis of propagation through level crossings of codimension two, a mathematical justification of surface hopping algorithms, and a spectral study of a linear isotropic system.

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تاریخ انتشار 2006