Relativistic coupled-cluster calculations of (20)Ne, (40)Ar, (84)Kr, and (129)Xe: Correlation energies and dipole polarizabilities

Abstract

We have carried out a detailed and systematic study of the correlation energies of inert gas atoms Ne, Ar, Kr, and Xe using relativistic many-body perturbation theory and relativistic coupled-cluster theory. In the relativistic coupled-cluster calculations, we implement perturbative triples and include these in the correlation energy calculations. We then calculate the dipole polarizability of the ground states using perturbed coupled-cluster theory.