One-electron Pseudopotential Investigation of the CsAr Van der Waals System

Abstract

The potential energy curves of the ground state and many excited states of CsAr Van der Waals system have been determined using a one‐electron pseudopotential approach. Two pseudopotentials were used to replace the effect of the Cs+ core and the electron‐Ar interaction. This has permitted to reduce the number of active electrons of the CsAr system to one electron, the valence electron, and has led to use very large basis sets for Cs and Ar atoms. In addition, the spectroscopic constants of the ground and many excited states were derived and compared with the available theoretical and experimental works. Such comparison has shown a very good agreement for the ground and the first excited state.