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Towards the electron EDM search: Theoretical study of HfF+

A. N. Petrov·N. S. Mosyagin·T. A. Isaev·A. V. Titov
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Abstract

We report first ab initio relativistic correlation calculations of potential curves for ten low-lying electronic states, effective electric field on the electron and hyperfine constants for the ^3\Delta_1 state of cation of a heavy transition metal fluoride, HfF^+, that is suggested to be used as the working state in experiments to search for the electric dipole moment of the electron. It is shown that HfF^+ has deeply bound ^1\Sigma^+ ground state, its dissociation energy is D_e=6.4 eV. The ^3\Delta_1 state is obtained to be the relatively long-lived first excited state lying about 0.2 eV higher. The calculated effective electric field E_eff=W_d|\Omega| acting on an electron in this state is 5.84*10^{24}Hz/(e*cm)

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A. N. Petrov, N. S. Mosyagin, T. A. Isaev, A. V. Titov. 2006-11-27. Towards the electron EDM search: Theoretical study of HfF+. https://doi.org/10.1103/physreva.76.030501

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