Non-adiabatic transitions through tilted avoided crossings

2010/07/15 by Betz, Volker, Goddard, Benjamin D.
#34E20 #81V55 #FOS: Mathematics #FOS: Physical sciences #Mathematical Physics (math-ph) #Numerical Analysis (math.NA)

paper · doi:10.48550/arxiv.1007.2596

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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