A coupled-cluster approach to polarizabilities: Computational aspects

Abstract

We present ab initio calculations of both the dipole and quadrupole polarizabilities within the framework of the relativistic coupled-cluster theory. We directly solve the first order perturbed equation arising from a general one-electron perturbation, thereby avoiding an explicit summation over intermediate states. This method can be applied to a wide range of problems including the high precision calculations of very small but finite parity non-conserving and CP violating amplitudes. We discuss in detail the computational methods used in the calculations and investigate the trends of electron correlation effects for the dipole and quadrupole polarizabilities.