Reactive scattering calculations for D + H$_2$ in vibrationally excited states at ultralow temperature

Ion Simbotin; Robin Cote

Reactive scattering calculations for D + H$_2$ in vibrationally excited states at ultralow temperature

POSTER

Abstract

We calculate total cross sections for the D + H$_2(v,j\!=\!0)$ collision, and investigate their dependence on the vibrational quantum number $v$ of the initial state of H$_2$. The cross sections increase quasi-exponentially with the excitation energy of the initial vibrational state. This is similar to the exponential dependence observed in the vibrational predissociation of van der Waals complexes. We attempt to explain this simple relationship in terms of the short range details of the single channel atom--molecule wavefunctions and the couplings between the initial and final channels.

Authors

Ion Simbotin
Robin Cote

University of Connecticut, Storrs, CT 06269, Department of Physics, University of Connecticut, Storrs, CT 06269-3046, University of Connecticut, Physics Department, U-3046 Hillside Road, Storrs CT, 02269-3046, University of Connecticut, Dept. of Physics, UCONN, Storrs, CT, University of Connecticut, Department of Physics, Storrs, CT 06269., University of Connecticut (Storrs, CT 06269)