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Non-adiabatic transitions through tilted avoided crossings (1007.2596v1)

Published 15 Jul 2010 in math-ph, math.MP, and math.NA

Abstract: We investigate the transition of a quantum wave-packet through a one-dimensional avoided crossing of molecular energy levels when the energy levels at the crossing point are tilted. Using superadiabatic representations, and an approximation of the dynamics near the crossing region, we obtain an explicit formula for the transition wavefunction. Our results agree extremely well with high precision ab-initio calculations.

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