Non-adiabatic quantum dynamics of the ultracold Li+LiNa→ Li2+Na chemical reaction. Issue 12 (January 2020)

• Record Type: Journal Article
• Authors: Kendrick, B K; Li, M; Li, H; Kotochigova, S; Croft, J F E; Balakrishnan, N
• Is Part Of: Journal of physics. Volume 1412:Issue 12(2019)
• Publication Date: 2020-01
• Subjects: Physics -- Congresses; 530.5
• DOI: 10.1088/1742-6596/1412/12/122016
• Languages: English
• ISSNs: 1742-6588

Abstract

Synopsis: 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.