A coupled cluster response study of the electric dipole polarizability, first and second hyperpolarizabilities of HCl
The electric dipole polarizability and first and second hyperpolarizabilities of HCl are computed within coupled cluster response theory. A systematic basis set convergence study with Dunning's correlation consistent basis sets is first performed. Correlation effects are studied using the coupled cluster singles and doubles and CC3 models. The latter takes iteratively into account the effect of co