arXiv:1210.6158 · Journal of the Physical Society of Japan
Ultralong-Range Rydberg Cs2 Molecules Investigated at the Ab Initio Level of Theory
Ting Ji, Xiaomeng Liu, Yonggang Yang, Jianming Zhao
Abstract
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.