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arXiv 2211.13643physics.atom-phphysics.chem-phquant-ph
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荷电超远程里德堡三聚体

Charged ultralong-range Rydberg trimers

Daniel J. Bosworth, Frederic Hummel, Peter Schmelcher

摘要:

我们表明,最近观察到的一类长程离子里德伯分子可以分为两个家庭的状态,其特征在于其独特的电子结构导致从离子诱导的混合物的量子缺陷分裂里德伯$n$ P状态与不同的低场寻求高$l$状态。我们预测,在这两种情况下,这些双原子分子状态可以绑定额外的基态原子躺在里德伯电子的轨道内,从而形成带电的超远程里德伯分子(ULRM)的结合能类似于传统的非极性ULRM。为了证明这一点,我们考虑里德伯原子与单个基态原子和离子的相互作用。额外的原子打破了系统的圆柱对称性,这导致了原本会解耦的状态之间的混合。的电子结构,得到使用精确对角化在有限的基础上和振动结构确定使用多配置时间依赖哈特里方法。由于电子密度的瓣状结构,结合三聚体的线性和非线性几何构型的三个核是可能的。预测的三聚体的结合能和激发系列是不同的,足以从那些使用目前的实验技术观察到的离子-里德伯二聚体。

英文摘要:

We show that the recently observed class of long-range ion-Rydberg molecules can be divided into two families of states, which are characterised by their unique electronic structures resulting from the ion-induced admixture of quantum defect-split Rydberg $n$P states with different low-field seeking high-$l$ states. We predict that in both cases these diatomic molecular states can bind additional ground state atoms lying within the orbit of the Rydberg electron, thereby forming charged ultralong-range Rydberg molecules (ULRM) with binding energies similar to that of conventional non-polar ULRM. To demonstrate this, we consider a Rydberg atom interacting with a single ground state atom and an ion. The additional atom breaks the system's cylindrical symmetry, which leads to mixing between states that would otherwise be decoupled. The electronic structure is obtained using exact diagonalisation over a finite basis and the vibrational structure is determined using the Multi-Configuration Time-Dependent Hartree method. Due to the lobe-like structure of the electronic density, bound trimers with both linear and nonlinear geometrical configurations of the three nuclei are possible. The predicted trimer binding energies and excitation series are distinct enough from those of the ion-Rydberg dimer to be observed using current experimental techniques.

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