Nonadiabatic transitions through tilted avoided crossings

V. Betz, B.D. Goddard

Research output: Contribution to journalArticlepeer-review

Abstract / Description of output

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 wave function. Our results agree extremely well with high precision ab-initio calculations.
Original languageEnglish
Pages (from-to)2247-2276
Number of pages30
JournalSIAM Journal on Scientific Computing
Volume33
Issue number5
DOIs
Publication statusPublished - 1 Jan 2011

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