超冷原子气体中的分子离子：计算的\MgHion与Rb的电子相互作用
Molecular ions in ultracold atomic gases: computed electronic interactions for \MgHion with Rb
摘要：
采用多参考波函数的强关联\emph{ab initio}方法，在较宽的Jacobi坐标范围内，计算了MgH $^+$（X $^1Σ^+$）阳离子分子与Rb（$^2$ S）中性原子相互作用在低能区产生的势能面流形的电子结构.最低的五个表面的相对功能进行了分析，在可能的碰撞结果时，采用模型的离子分子合作伙伴的超冷动力学。
英文摘要：
The electronic structures of the manifold of potential energy surfaces generated in the lower energy range by the interaction of the MgH$^+$(X$^1Σ^+$) cationic molecule with Rb($^2$S), neutral atom are obtained over a broad range of Jacobi coordinates from strongly correlated \emph{ab initio} calculations which use a Multireference (MR) wavefunction within a Complete Active Space (CAS) approach. The relative features of the lowest five surfaces are analyzed in terms of possible collisional outcomes when employed to model the ultracold dynamics of ionic molecular partners.
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