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physics.chem-ph2018
Non-adiabatic transitions in multiple dimensions
V. Betz, B. D. Goddard, T. Hurst
We consider non-adiabatic transitions in multiple dimensions, which occur when the Born-Oppenheimer approximation breaks down. We present a general, multi-dimensional algorithm whi…
physics.chem-ph2018
Multiple Superadiabatic Transitions and Landau-Zener Formulas
Benjamin D. Goddard, Tim Hurst
We consider nonadiabatic systems in which the classical Born-Oppenheimer approximation breaks down. We present a general theory that accurately captures the full transmitted wavepa…
physics.chem-ph2016
Wave packet dynamics in the optimal superadiabatic approximation
Volker Betz, Benjamin D. Goddard, Uwe Manthe
We explain the concept of superadiabatic approximations and show how in the context of the Born- Oppenheimer approximation they lead to an explicit formula that can be used to pred…