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.

13 pages, 14 figures, 10 tables

References in corpus (4)

• Medium-mass nuclei from chiral nucleon-nucleon interactions
• Intrinsic Electric Dipole Moments of Paramagnetic Atoms: Rubidium and Cesium
• Relativistic coupled-cluster single-double method applied to alkali-metal atoms
• Electric dipole polarizability from perturbed Relativistic Coupled-Cluster Theory: application to Neon

Cited by in corpus (6)

• 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
• RCCPAC: A parallel relativistic coupled-cluster program for closed-shell and one-valence atoms and ions in FORTRAN
• A Relativistic Many-Body Analysis of the Electric Dipole Moment of ${}^{223}$Rn
• 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