Embedded cluster approach for accurate electronic structure calculations of 229Th :CaF2
Building on recent advances of the embedded cluster approach combined with multiconfigurational theory, this work investigates the electronic states in thorium-doped CaF2 crystals. Th:CaF2 is established as a promising material for solid-state nuclear clocks, which utilize the laser-Accessible isomeric state in thorium-229. By comparing simulated absorption spectra of a library of defect configura
