Nonadiabatic transitions through tilted avoided crossings
Betz, Volker and Goddard, Benjamin D.. (2011) Nonadiabatic transitions through tilted avoided crossings. SIAM Journal on Scientific Computing, Vol.33 (No.5). pp. 2247-2276. ISSN 1064-8275Full text not available from this repository.
Official URL: http://dx.doi.org/10.1137/100802347
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.
|Item Type:||Journal Article|
|Subjects:||Q Science > QA Mathematics
Q Science > QC Physics
|Divisions:||Faculty of Science > Mathematics|
|Library of Congress Subject Headings (LCSH):||Born-Oppenheimer approximation, Molecular dynamics, Phase transformations (Statistical physics), Quantum theory|
|Journal or Publication Title:||SIAM Journal on Scientific Computing|
|Publisher:||Society for Industrial and Applied Mathematics|
|Official Date:||13 September 2011|
|Page Range:||pp. 2247-2276|
|Access rights to Published version:||Restricted or Subscription Access|
 M. V. Berry and R. Lim, Universal transition prefactors derived by superadiabatic renormalization,
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