An ab initio relativistic coupled-cluster theory of dipole and quadrupole polarizabilities: Applications to a few alkali atoms and alkaline earth ions

摘要

We present a new approach based on the relativistic coupled-cluster theory to calculate the first order wave functions due to one-electron perturbation of any rank. Using this method, we calculate the static dipole and quadrupole polarizabilities in some alkali atoms and alkaline earth-metal ions. This is a stringent test of the proposed method as the calculations involve operators of different parities and ranks considering the interplay of both relativistic and correlation effects. Also, the proposed method has a wide range of applications. (c) 2007 Elsevier B.V. All rights reserved.