Theoretical study of the RbHe electronic excited states

Abstract

We investigate the electronic excited states of the RbHe molecule with the help of ab initio model core polarization potential (AIM-CPP). We focus on the lowest-energy states correlating with the Rb atom excited states, up to the 4f configuration. To assess the quality of our approach, we compare the potential energy curves (PECs) with the most accurate ab initio wave function methods, MRCI and CCSD(T). We also compare the transition energies from 5p to 5d configurations with the high-resolution experimental absorption spectrum obtained by interferometric method. Our analysis shows that the AIM-CPP method is remarkably reliable and accurate to predict the PECs and related ro-vibrational states of the RbHe molecule.