期刊
JOURNAL OF PHYSICAL CHEMISTRY A
卷 121, 期 21, 页码 4152-4159出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpca.7b01523
关键词
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资金
- Foundation for Polish Science [DEC-2012/07/B/ST4/01347, 2011-3/14]
- European Regional Development Fund of the European Union
- Wroclaw Centre of Networking and Supercomputing [218]
We investigate the energetics of the atom exchange reaction in the SrF + alkali-metal atom and CaF + alkali-metal atom systems. Such reactions are possible only for collisions of SrF and CaF with the lithium atoms, while they are energetically forbidden for other alkali-metal atoms. Specifically, we focus on SrF interacting with Li, Rb, and Sr atoms and use ab initio methods to demonstrate that the SrF + Li and SrF + Sr reactions are barrierless. We present potential energy surfaces for the interaction of the SrF molecule with the Li, Rb, and Sr atoms in their energetically lowest-lying electronic spin states. The obtained potential energy surfaces are deep and exhibit profound interaction anisotropies. We predict that the collisions of SrF molecules in the rotational or Zeeman excited states most likely have a strong inelastic character. We discuss the prospects for the sympathetic cooling of SrF and CaF molecules using ultracold alkali-metal atoms.
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