New bases for the evaluation of interaction energies: An ab initio study of the CO-Ne van der Waals complex intermolecular potential and ro-vibrational spectrum

► From the LPol, MLPol, and aug-pc-2 bases we obtained new bases for the evaluation of CO-Ne interaction energies. ► We checked the bases on the evaluation of the rovibrational spectrum. ► The results were satisfactory, being the new bases more efficient than those previously available.