Interaction induced dipole moment and polarizability in CO2⋯Rg, Rg=He, Ne, Ar, Kr and Xe

We have obtained interaction induced dipole moments and polarizabilities for CO2⋯Rg, Rg=He, Ne, Ar, Kr and Xe. Relying on Møller–Plesset perturbation theory and coupled cluster calculations with large, especially designed basis sets we have collected pertinent observations on various computational aspects characteristic of these systems. For the most stable T-shaped configuration of CO2⋯Rg the interaction dipole moment μint/ea0 evolves as 0.0063 (He), 0.0107 (Ne), 0.0281 (Ar), 0.0345 (Kr), 0.0398 (Xe) and the mean polarizability αint/e2a02Eh−1 as −0.0494 (He), −0.0897 (Ne), −0.2752 (Ar), −0.3744 (Kr), −0.5111 (Xe).