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- W1979646006 abstract "We construct a surface hopping semigroup, which asymptotically describes nuclear propagation through crossings of electron energy levels. The underlying time-dependent Schrödinger equation has a matrix-valued potential, whose eigenvalue surfaces have a generic intersection of codimension two, three, or five in Hagedorn's classification. Using microlocal normal forms reminiscent of the Landau–Zener problem, we prove convergence to the true solution with an error of the order $varepsilon^{1/8}$, where $varepsilon$ is the semiclassical parameter. We present numerical experiments for an algorithmic realization of the semigroup illustrating the convergence of the algorithm." @default.
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- W1979646006 date "2008-01-01" @default.
- W1979646006 modified "2023-10-14" @default.
- W1979646006 title "Propagation through Generic Level Crossings: A Surface Hopping Semigroup" @default.
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- W1979646006 doi "https://doi.org/10.1137/070686810" @default.
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