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

TL;DR

This paper introduces a relativistic coupled-cluster method for two-valence atoms, enabling accurate calculations of atomic properties such as excitation energies and hyperfine constants for elements like Sr, Ba, and Yb.

Contribution

The paper develops an all-particle Fock-space relativistic coupled-cluster approach for two-valence systems and applies it to calculate various atomic properties, advancing computational atomic physics methods.

Findings

Accurate excitation energies for Sr, Ba, Yb

Computed hyperfine constants and electric dipole matrix elements

Extended calculations to ions Sr+, Ba+, Yb+ with consistent results

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$^+$.