Electric dipole polarizability of alkaline-Earth-metal atoms from perturbed relativistic coupled-cluster theory with triples

Abstract

The perturbed relativistic coupled-cluster (PRCC) theory is applied to calculate the electric dipole polarizabilities of alkaline Earth metal atoms. The Dirac-Coulomb-Breit atomic Hamiltonian is used and we include the triple excitations in the relativistic coupled-cluster (RCC) theory. The theoretical issues related to the triple excitation cluster operators are described in detail and we also provide details on the computational implementation. The PRCC theory results are in good agreement with the experimental and previous theoretical results. We, then, highlight the importance of considering the Breit interaction for alkaline Earth metal atoms.

13 pages, 11 figures, 9 tables, Minor changes, References updated

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Cited by in corpus (10)

• Production of NaCa${}^{+}$ molecular ions in the ground state from cold atom-ion mixtures by photoassociation via an intermediate state
• 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
• RCCPAC: A parallel relativistic coupled-cluster program for closed-shell and one-valence atoms and ions in FORTRAN
• Fock-space relativistic coupled-cluster calculation of hyperfine induced ${}^1{\mathbf{S}}_0\to {}^3{\mathbf{P}}_0^{\mathbf{o}}$ clock transition in Al${}^{+}$
• Ab initio calculations of permanent dipole moments and dipole polarizabilities of alkaline-earth monofluorides
• 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
• Ab Initio Calculations of the Static and Dynamic Polarizability of BaOH