In this work, electronic properties of alkali atoms interacting with helium rare gas (CsHe and RbHe) are studied through a full configuration interaction calculation, in cooperation with a pseudopotential approach and core polarization potential. The adiabatic potential energy curves for the ground state and numerous excited states of CsHe and RbHe systems are investigated. The corresponding spectroscopic constants such as equilibrium distance R e, well depth D e, vibrational constant ω e, anharmonic constant, rotational constant B e, and transition energy T e as well as the vibrational levels of all electronic states are computed. Finally, permanent and transition dipole moment curves for the sigma states are determined and analyzed.
Theoretical Chemistry Accounts – Springer Journals
Published: May 31, 2018
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