Journal of Physics: Conference Series
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We report non-adiabatic dynamics of the Li+LiNa→Li2+Na chemical reaction at cold and ultracold temperatures employing accurate ab initio electronic potential energy surfaces in a quantum dynamics formulation employing a diabatic representation. Results are compared against those from a single adiabatic ground state potential energy surface and a universal model based on the long-range interaction potential. We discuss signatures of non-universal behavior in the total rate coefficients as well as strong non-adiabatic effects in the state-to-state rotationally resolved rate coefficients.
Biological and Chemical Physics | Quantum Physics
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Kendrick, B. K.,
Croft, J. F.,
Non-Adiabatic Quantum Dynamics of the Ultracold Li+LiNa→ Li2+Na Chemical Reaction.
Journal of Physics: Conference Series, 1412