Static dipole polarizabilities (alpha) and static second hyperpolarizabilities (gamma) of the rare gas atoms (He-Rn)

Static polarizabilities, alpha, and static second hyperpolarizabilities, ga mma, of the rare gas atoms, He-Rn, are investigated employing CCSD(T) calcu lations and large basis sets. For the lighter atoms, He-Kr, x-aug-cc-pVXZ b asis sets were employed in order to test convergence (x = s-5; X=D-6). Furt her basis sets were employed for He in order to investigate basis set requi rements. For the heavier species, effective core potentials (ECPs) are empl oyed, together with a large, flexible valence space. alpha and gamma were o btained by fitting the energies to standard expressions.