Properties from relativistic coupled-cluster without truncation: hyperfine constants of ${}^{25}{\mathrm{Mg}}^{+}$, ${}^{43}{\mathrm{Ca}}^{+}$, ${}^{87}{\mathrm{Sr}}^{+}$ and ${}^{137}{\mathrm{Ba}}^{+}$

Abstract

We demonstrate an iterative scheme for coupled-cluster properties calculations without truncating the dressed properties operator. For validation, magnetic dipole hyperfine constants of alkaline Earth ions are calculated with relativistic coupled-cluster and role of electron correlation examined. Then, a detailed analysis of the higher order terms is carried out. Based on the results, we arrive at an optimal form of the dressed operator. Which we recommend for properties calculations with relativistic coupled-cluster theory.

13 pages, 4 figures, 5 tables

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Cited by in corpus (18)

• Electric dipole polarizability of alkaline-Earth-metal atoms from perturbed relativistic coupled-cluster theory with triples
• Effect of screening on spectroscopic properties of Li-like ions in plasma environment
• Fock space relativistic coupled-Cluster calculations of Two-Valence Atoms
• The role of QED effects in transition energies of heavy-atom alkaline earth monofluoride molecules: a theoretical study of Ba${}^{+}$, BaF, RaF and E120F
• Triple excitations in perturbed relativistic coupled-cluster theory and Electric dipole polarizability of groupIIB elements
• Perturbed Coupled-Cluster theory to calculate dipole polarizabilities of closed shell systems: Application to Ar, Kr, Xe and Rn
• Electric dipole polarizability from perturbed Relativistic Coupled-Cluster Theory: application to Neon
• 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
• Isotope shifts of natural Sr+ measured by laser fluorescence in a sympathetically cooled Coulomb crystal
• 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
• 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 coupled cluster calculations on hyperfine structures and electromagnetic transition amplitudes of In III
• Fock-space perturbed relativistic coupled-cluster theory for electric dipole polarizability of one-valence atomic systems: Application to Al and In
• Role of triple excitations in calculating different properties of Ba+
• Investigating Roles of Triple Excitations for High-precision Determination of Clock Properties of Alkaline Earth Metal Singly Charged Ions