基态原子、激发态原子和离子杂化系统中的长程加性势和非加性势
Long-range additive and nonadditive potentials in a hybrid system: Ground state atom, excited state atom, and ion
摘要：
本文对由一个基态$S$态Li原子、一个激发态$P$态Li原子和一个基态$S$态Li离子组成的三体杂化原子-原子-离子系统Li（$^+$）-Li（$2\,^{2}P$）-Li（$^+(1\,^{1}S$）的长程加性势和非加性势进行了理论研究.相互作用系数的评估与高精度的波函数计算变分在Hylleraas坐标。对于该杂化体系，由能量简并引起的三体非加性集体相互作用（出现在二阶）和由Li $^+$离子通过内电场的诱导效应所增强的三体非加性集体相互作用可以很强，甚至强于同阶的两体加性相互作用.我们发现，对于特定的几何形状的两体加性相互作用的系统总和为零，只留下三体非加性集体相互作用，使本系统潜在的平台，探索量子三体集体效应。我们还提取了第一原理的主导系数的长程静电，感应，和分散能量的Li $^+_2$电子状态相关的Li（$2\,^{2}P$）-Li $^+(1\,^{1}S$），这直到现在还没有在文献中。这些结果对于探索在光晶格中用超冷原子和离子形成三聚体的方案具有重要的参考价值。
英文摘要：
We report a theoretical study on the long-range additive and nonadditive potentials for a three-body hybrid atom-atom-ion system composed of one ground $S$ state Li atom, one excited $P$ state Li atom and one ground $S$ state Li$^+$ ion, Li($2\,^{2}S$)-Li($2\,^{2}P$)-Li$^+(1\,^{1}S$). The interaction coefficients are evaluated with highly accurate wave functions calculated variationally in Hylleraas coordinates. For this hybrid system the three-body nonadditive collective interactions (appearing in second-order) induced by the energy degeneracy and enhanced by the induction effect of the Li$^+$ ion through the internal electric field can be strong and even stronger than the two-body additive interactions at the same order. We find that for particular geometries the two-body additive interactions of the system sum to zero leaving only three-body nonadditive collective interactions making the present system potentially a platform to explore quantum three-body collective effects. We also extract first-principles leading coefficients of the long-range electrostatic, induction, and dispersion energies of Li$^+_2$ electronic states correlating to Li($2\,^{2}P$)-Li$^+(1\,^{1}S$), which until now were not available in the literature. The results should be especially valuable for the exploration of schemes to create trimers with ultracold atoms and ions in optical lattices.
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