标题： 超长里德伯 Cs$_2$分子通过组合从头计算和微扰理论的研究 显示英文标题

标题： Ultralong Rydberg Cs$_2$ Molecules Investigated by Combined ab initio Calculations and Perturbation Theory

摘要： 超长里德伯 Cs$_2$分子的振动特性是在通过微扰理论获得的相应势能曲线上进行研究的。 里德伯 Cs$_2$分子是由一个里德伯 Cs($nS/nP$) 原子$(n=30-70)$和一个基态 Cs($6s$) 原子结合而成的。 对于相应里德伯分子势能曲线的微扰处理的起点是通过现实的{\it 从头计算}有效核心势生成精确的原子里德伯态。 计算结果与现有实验和理论研究中关于里德伯 Rb$_2$分子的结果具有相似的特征。 并且这是首次在{\it 从头计算}级别对里德伯分子进行研究。 显示英文摘要

摘要： Vibrational properties of ultralong Rydberg Cs$_2$ molecules are investigated on corresponding potential curves obtained by perturbation theory. The Rydberg Cs$_2$ molecules are associated by a Rydberg Cs($nS/nP$) atom $(n=30-70)$ and a ground state Cs($6s$) atom. The starting point for the perturbation treatment of corresponding Rydberg molecular potential curves is to generate accurate atomic Rydberg states from realistic {\it ab initio} effective core potential. The calculated results have similar characteristics with available experimental and theoretical investigations on Rydberg Rb$_2$ molecules. And this is the first time that Rydberg molecules are studied at the {\it ab initio} level.