The historical calculation of spectroscopic properties for trivalent lanthanide ions is a complex multistep process that has been prone to inaccuracies. In this work, we revise the parametric semi-empirical Hamiltonian and address long-standing discrepancies in the literature. We also resurface the distinctions between orthogonal and non-orthogonal operators, and use orthogonalized operators to provide an alternative parametric description. Based on experimental data available in the literature, an updated set of parameter values for the canonical case of lanthanide ions in ${\text{LaF}}_3$ is presented. Additionally, we provide calculations of spontaneous emission rates and oscillator strengths for magnetic dipole transitions in the ${\text{LaF}}_3$ crystal host. To ensure the replicability of our findings, we make available the open-source code qlanth, accompanied by a comprehensive set of electronic files to serve as an updated reference for future calculations.

Close

PrevNext

View figure in article

• Atomic spectra
• Color centers
• Electronic transitions
• Lanthanides
• Rare-earth ions
• Electric moment
• Magnetic moment
• Spectroscopy