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

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.

arXiv comment13 pages, 14 figures, 10 tables

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Cited by in corpus (13)

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• Triple excitations in perturbed relativistic coupled-cluster theory and Electric dipole polarizability of groupIIB elements
• RCC calculation of electric dipole polarizability and correlation energy of Cn, Nh${}^{+}$ and Og: Correlation effects from lighter to superheavy elements
• Electric dipole polarizability of group-IIIA ions using PRCC: Large correlation effects from nonlinear terms
• Electric dipole polarizabilities of doubly ionized alkaline Earth metal ions from perturbed relativistic coupled-cluster theory
• RCCPAC: A parallel relativistic coupled-cluster program for closed-shell and one-valence atoms and ions in FORTRAN
• Electric dipole polarizabilities of alkali metal ions from perturbed relativistic coupled-cluster theory
• The role of relativistic many-body theory in probing new physics beyond the standard model via the electric dipole moments of diamagnetic atoms
• A Relativistic Many-Body Analysis of the Electric Dipole Moment of ${}^{223}$Rn
• Studies of the Electric Dipole Polarizability of ${}^{129}$Xe using the Relativistic Coupled Cluster and the Normal Coupled Cluster Methods
• Fock-space perturbed relativistic coupled-cluster theory for electric dipole polarizability of one-valence atomic systems: Application to Al and In
• Relativistic and Electron Correlation Effects in Static Dipole Polarizabilities for Main-Group Elements