| Article | |
| Report number | arXiv:2305.06932 |
| Title | Ab initio study of electronic states and radiative properties of the AcF molecule |
| Author(s) | Skripnikov, Leonid V. (St. Petersburg, INP ; St. Petersburg State U.) ; Oleynichenko, Alexander V. (St. Petersburg, INP) ; Zaitsevskii, Andréi (St. Petersburg, INP ; Moscow State U.) ; Mosyagin, Nikolai S. (St. Petersburg, INP) ; Athanasakis-Kaklamanakis, Michail (CERN ; Leuven U.) ; Au, Mia (CERN) ; Neyens, Gerda (Leuven U.) |
| Publication | 2023-09-28 |
| Imprint | 2023-05-11 |
| Number of pages | 16 |
| In: | J. Chem. Phys. 159 (2023) 124301 |
| DOI | 10.1063/5.0159888 |
| Subject category | Physics in General |
| Abstract | Relativistic coupled-cluster calculations of the ionization potential, dissociation energy, and excited electronic states under 35,000 cm$^{-1}$ are presented for the actinium monofluoride (AcF) molecule. The ionization potential is calculated to be IP$_e=48,866$ cm$^{-1}$, and the ground state is confirmed to be a closed-shell singlet and thus strongly sensitive to the $\mathcal{T}$,$\mathcal{P}$-violating nuclear Schiff moment of the Ac nucleus. Radiative properties and transition dipole moments from the ground state are identified for several excited states, achieving an uncertainty of $\sim$450 cm$^{-1}$ for the excitation energies. For higher-lying states that are not directly accessible from the ground state, possible two-step excitation pathways are proposed. The calculated branching ratios and Franck-Condon factors are used to investigate the suitability of AcF for direct laser cooling. The lifetime of the metastable $(1)^3Δ_1$ state, which can be used in experimental searches of the electric dipole moment of the electron, is estimated to be of order 1 ms. |
| Copyright/License | exclusive license by AIP Publishing |
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Rekord stworzony 2023-12-01, ostatnia modyfikacja 2025-07-22
