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

S. Chattopadhyay, B. K. Mani, and D. Angom
Phys. Rev. A 86, 062508 – Published 17 December 2012

Abstract

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 p1/2 orbitals due to relativistic corrections is discernible without any ambiguity.

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  • Received 23 October 2012

DOI:https://doi.org/10.1103/PhysRevA.86.062508

©2012 American Physical Society

Authors & Affiliations

S. Chattopadhyay1, B. K. Mani2, and D. Angom1

  • 1Physical Research Laboratory, Ahmedabad 380009, Gujarat, India
  • 2Department of Physics, University of South Florida, Tampa, Florida 33620, USA

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Issue

Vol. 86, Iss. 6 — December 2012

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