Fock space relativistic coupled-Cluster calculations of Two-Valence Atoms

Abstract

We have developed an all particle Fock-space relativistic coupled-cluster method for two-valence atomic systems. We then describe a scheme to employ the coupled-cluster wave function to calculate atomic properties. Based on these developments we calculate the excitation energies, magnetic hyperfine constants and electric dipole matrix elements of Sr, Ba and Yb. Further more, we calculate the electric quadrupole HFS constants and the electric dipole matrix elements of Sr${}^{+}$, Ba${}^{+}$ and Yb${}^{+}$. For these we use the one-valence coupled-cluster wave functions obtained as an intermediate in the two-valence calculations. We also calculate the magnetic dipole hyperfine constants of Yb${}^{+}$.

23 pages, 12 figures, 10 tables typos are corrected and some minor modifications in some of the sections

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• Sr lattice clock at 1x10^{-16} fractional uncertainty by remote optical evaluation with a Ca clock
• Development of a configuration-interaction + all-order method for atomic calculations
• 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
• Third-order many-body perturbation theory calculations for the beryllium and magnesium isoelectronic sequences

Cited by in corpus (5)

• Combination of the single-double coupled cluster and the configuration interaction methods; application to barium, lutetium and their ions
• Spectra of barium, radium, and element 120; application of the combined correlation potential, singles-doubles, and configuration interaction ab initio method
• Triple excitations in perturbed relativistic coupled-cluster theory and Electric dipole polarizability of groupIIB elements
• Implementation and Application of the Relativistic Equation of Motion Coupled-cluster Method for the Excited States of Closed-shell Atomic Systems
• RCCPAC: A parallel relativistic coupled-cluster program for closed-shell and one-valence atoms and ions in FORTRAN