两个激发态汞原子间的长程作用力和缔合电离
Long-range forces between two excited mercury atoms and associative ionization
摘要：
确定了所有激发态Hg（$6s6p$）$^3P_0$、$^3P_1$、$^3P_2$和$^1P_1$原子对之间的长程四极-四极（$\sim R^{-5}$）和主导色散（$\sim R^{-6}$）相互作用。四极矩的计算采用{ \it ab initio}相对论组态相互作用方法结合多体微扰理论。范德华系数近似使用以前计算的静态极化率和表达式的色散能量，验证与类似的系统。长程相互作用是热碰撞和冷碰撞中关联电离的关键，并且发现对于不同的相互作用态对，长程相互作用是相当不同的。基于这些知识和先前计算的电势曲线的短程部分，得到了化学电离截面的改进估计。
英文摘要：
The long-range quadrupole-quadrupole ($\sim R^{-5}$) and leading dispersion ($\sim R^{-6}$) interactions between all pairs of excited Hg($6s6p$) $^3P_0$, $^3P_1$, $^3P_2$, and $^1P_1$ atoms are determined. The quadrupole moments are calculated using the {\it ab initio} relativistic configuration-interaction method coupled with many-body perturbation theory. The van der Waals coefficients are approximated using previously calculated static polarizabilities and expressions for the dispersion energy that are validated with similar systems. The long-range interactions are critical for associative ionization in thermal and cold collisions, and are found to be quite different for different pairs of interacting states. Based on this knowledge and the short-range parts of previously calculated potential curves, improved estimates of the chemi-ionization cross sections are obtained.
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