超冷铷三聚体的光缔合过程
Towards photoassociation processes of ultracold rubidium trimers
摘要：
我们从理论上研究了Rb $_3$的光缔合（PA）的前景，特别是在近距离。我们提供了可访问状态和可能的转换的概述。重点放在平衡结构的计算，自旋轨道效应的调查和调查的过渡偶极矩。此外，我们还讨论了Franck-Condon重叠和三聚体的特殊方面，包括（伪）Jahn-Teller效应和绝热势能面的拓扑结构。有了这个，我们确定具体的和合适的PA过渡，有可能产生长寿命的三聚体结合态。使用多参考组态相互作用方法与一个大的核心有效的核心潜力和核心极化潜力与一个大的未收缩均匀回火基组一起进行计算。
英文摘要：
We theoretically investigate the prospects for photoassociation (PA) of Rb$_3$, in particular at close range. We provide an overview of accessible states and possible transitions. The major focus is placed on the calculation of equilibrium structures, the survey of spin-orbit effects and the investigation of transition dipole moments. Furthermore we discuss Franck-Condon overlaps and special aspects of trimers including the (pseudo) Jahn-Teller effect and the resulting topology of adiabatic potential-energy surfaces. With this we identify concrete and suitable PA transitions to potentially produce long-lived trimer bound states. Calculations are performed using the multireference configuration-interaction method together with a large-core effective core potential and a core-polarization potential with a large uncontracted even-tempered basis set.
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