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arXiv · 1210.5471

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

S. Chattopadhyay·B. K. Mani·D. Angom
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Abstract

We use perturbed relativistic coupled-cluster (PRCC) theory to calculate the electric dipole polarizability of 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 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 $p_{1/2}$ due to relativistic corrections is discernible without any ambiguity.

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S. Chattopadhyay, B. K. Mani, D. Angom. 2012-10-19. Perturbed Coupled-Cluster theory to calculate dipole polarizabilities of closed shell systems: Application to Ar, Kr, Xe and Rn. https://doi.org/10.1103/physreva.86.062508

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