论文标题
碱和碱性核心核原子系统li + ba $^ + $之间的冷碰撞
Cold collisions between alkali and alkaline-earth hetero nuclear atom-ion system Li + Ba$^+$
论文作者
论文摘要
在Schaetz Group \ Cite {Weckesser2021}的最新实验中，量子$ s $ - 波制度已用于碱和碱性原子原子组合（li-ba $^+$）。我们从理论的角度研究了该离子原子对在量子方案处的相互作用的可能结果。为此，使用多方面构型相互作用（MRCI）电子结构计算，为最低的三个解离通道构建了出生的势能表面。我们在不同的能量状态下呈现弹性，自旋交换（SE）和扩散横截面。该系统的碰撞特性是根据散射相位移动和散射截面计算的，还检查了相对较大的能量极限的半经典行为。对于SE碰撞，将相位锁定到下部偏侧波。
In a recent experiment by Schaetz group \cite{weckesser2021}, the quantum $s$-wave regime has been attained for alkali and alkaline-earth atom-ion combination (Li-Ba$^+$). We investigate possible outcomes from interaction of this ion-atom pair at quantum regimes from a theoretical point of view. For this purpose, Born-Oppenheimer potential energy surfaces are constructed for the lowest three dissociation channels of (Ba-Li)$^+$ molecular system using a multireference configuration interaction (MRCI) electronic structure calculation. We present elastic, spin-exchange (SE), and diffusion cross sections at different energy regimes. The collisional properties of this system are calculated in terms of the scattering phase shifts and scattering cross sections, and the semiclassical behavior at a relatively large energy limit is also examined. For SE collisions, phase locking is obtained towards lower partial waves.
