Relativistic configuration-interaction and coupled-cluster calculations of Ir$^{17+}$ transition energies and properties for optical clock applications

TL;DR

This paper employs advanced relativistic quantum chemistry methods to calculate transition energies and properties of Ir$^{17+}$, identifying potential optical clock transitions with high accuracy and reliability.

Contribution

It introduces combined KRCI and FSCC calculations for Ir$^{17+}$, providing detailed transition data and properties for optical clock development, demonstrating their consistency and robustness.

Findings

Identification of forbidden optical transitions suitable for clocks

High agreement between KRCI and FSCC methods

Comprehensive properties supporting clock applications

Abstract

The transition energies and properties of the Ir$^{17+}$ ion are calculated using the Kramers-restricted configuration-interaction (KRCI) and Fock-space coupled-cluster (FSCC) methods within the Dirac-Coulomb-Gaunt Hamiltonian framework. These calculations show several forbidden optical transitions between the $4f^{13}5s$ ground state and the $4f^{14}$ and $4f^{12}5s^2$ excited states, underscoring their potential as candidates for optical clock applications. Additionally, key properties of the ground and low-lying excited states are reported, including Lande $g_J$ factors, lifetimes, electric dipole polarizabilities, electric quadrupole moments, hyperfine structure constants, relativistic sensitivities, Lorentz-invariance coefficient tensor, and isotope shifts. The excellent agreement between the results from the KRCI and FSCC methods demonstrates the robustness of the calculations and confirms the reliability of the proposed clock transitions.