ABSTRACT

We have obtained interaction dipole moments and (hyper)polarizabilities for the complexes Rg … Xe https://s3-euw1-ap-pe-df-pch-content-public-p.s3.eu-west-1.amazonaws.com/9780429081385/85584ebd-a763-4dac-970a-7c0fd00ce0b6/content/eq2807.tif"/> , Rg = He, Ne, Ar, Kr and Xe. Relying on finite-field second-order Møller-Plesset perturbation theory and density functional theory calculations with large, carefully optimized basis sets, the interaction properties are tabulated for a wide range of interatomic separation distances.