Theoretical study of ThO for the electron electric dipole moment search

An experiment to search for the electron electric dipole moment (\eEDM) on the metastable $H^3Δ_1$ state of ThO molecule was proposed and now in the final stage of preparation by the ACME collaboration [http://www.electronedm.org]. To interpret the experiment in terms of \eEDM\ and dimensionless constant $k_{T,P}$ characterizing the strength of the scalar T,P-odd electron-nucleus neutral current interaction, an accurate theoretical study of effective electric field on electron, Eeff, and $W_{T,P}$ constants is required. We report calculation of \Eeff\ (84 GV/cm) and a parameter of T,P-odd scalar neutral currents interaction, $W_{T,P}$ (116 kHz), together with the hyperfine structure constant, molecule frame dipole moment and $H^3Δ_1\to X^1Σ^+$ transition energy, which can serve as a measure of reliability of the obtained \Eeff\ and $W_{T,P}$ values. Besides, our results include a parity assignment and evaluation of the electric-field dependence for the magnetic $g$ factors for the $Ω$-doublets of $H^3Δ_1$.

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