Perturbed coupled-cluster theory to calculate dipole polarizabilities of closed-shell systems: Application to Ar, Kr, Xe, and Rn

作者：Chattopadhyay S^*; Mani B K; Angom D

来源：Physical Review A, 2012, 86(6): 062508.

DOI：10.1103/PhysRevA.86.062508

We use perturbed relativistic coupled-cluster (PRCC) theory to calculate the electric dipole polarizability of the noble-gas atoms Ar, Kr, Xe, and Rn. We also provide a detailed description of the nonlinear terms in the PRCC theory and consider the Dirac-Coulomb-Breit atomic Hamiltonian for the calculations. We find that the largest contribution from the Breit interaction to the electric dipole polarizability is 0.1%, in the case of Rn. As we go from Ar to Rn, based on the pattern in the random-phase-approximation effects, the contraction of the outermost p(1/2) orbitals due to relativistic corrections is discernible without any ambiguity. DOI: 10.1103/PhysRevA.86.062508

• 出版日期2012-12-17