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Beyond universality: parametrizing ultracold complex-mediated reactions using statistical assumptions

Published 10 Nov 2014 in physics.chem-ph | (1411.2666v1)

Abstract: We have calculated accurate quantum reactive and elastic cross-sections for the prototypical barrierless reaction D${+}$ + H$_2$($v$=0, $j$=0) using the hyperspherical scattering method. The considered kinetic energy ranges from the ultracold to the Langevin regimes. The availability of accurate results for this system allows to test the quantum theory by Jachymski et al. [Phys. Rev. Lett. 110, 213202 (2013)] in a nonuniversal case. The short range reaction probability is rationalized using statistical model assumptions and related to a statistical factor. This provides a means to estimate one of the parameters that characterizes ultracold processes from first principles. Possible limitations of the statistical model are considered.

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