Triple excitations in perturbed relativistic coupled-cluster theory and Electric dipole polarizability of groupIIB elements

Abstract

We use perturbed relativistic coupled-cluster (PRCC) theory to compute the electric dipole polarizabilities $\alpha$ of Zn, Cd and Hg. The computations are done using the Dirac-Coulomb-Breit Hamiltonian with Uehling potential to incorporate vacuum polarization corrections. The triple excitations are included perturbatively in the PRCC theory, and in the unperturbed sector, it is included non-perturbatively. Our results of $\alpha$, for all the three elements, are in excellent agreement with the experimental data. The other highlight of the results is the orbital energy corrections from Breit interactions. In the literature we could only get the data of Hg {E. Lindroth et al., J. Phys. B 22, 2447 (1989)} and are near perfect match with our results. We also present the linearized equations of the cluster amplitudes, including the triple excitations, with the angular factors.

arXiv commentWith minor corrections, 17 pages, 4 figures and 8 tables

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Cited by in corpus (7)

• Relativistic Normal Coupled-Cluster Theory for Accurate Determination of Electric Dipole Moments of Atoms: First application to ${}^{199}$Hg atom
• RCC calculation of electric dipole polarizability and correlation energy of Cn, Nh${}^{+}$ and Og: Correlation effects from lighter to superheavy elements
• Dipole Polarizability Calculation of Cd Atom: Inconsistency with experiment
• Electric dipole polarizability of group-IIIA ions using PRCC: Large correlation effects from nonlinear terms
• Relativistic Normal Coupled-cluster Theory Analysis of Second- and Third-order Electric Polarizabilities of Zn I
• Fock-space relativistic coupled-cluster calculation of hyperfine induced ${}^1{\mathbf{S}}_0\to {}^3{\mathbf{P}}_0^{\mathbf{o}}$ clock transition in Al${}^{+}$
• Relativistic and electron-correlation effects in static dipole polarizabilities for group 12 elements