2013/08/31 by L. V. Skripnikov, A. N. Petrov, A. V. Titov · 1 citation
Physics and Astronomy · #physics.chem-ph #physics.atom-ph
paper · pdf · doi:10.1063/1.4843955
published as J. Chem. Phys. 139, 221103 (2013)
arxiv created 2013/09/18 · arxiv updated 2013/12/13
An experiment to search for the electron electric dipole moment (\eEDM) on the metastable H3Δ1 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 kT,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 WT,P constants is required. We report calculation of \Eeff (84 GV/cm) and a parameter of T,P-odd scalar neutral currents interaction, WT,P (116 kHz), together with the hyperfine structure constant, molecule frame dipole moment and H3Δ1→ X1Σ+ transition energy, which can serve as a measure of reliability of the obtained \Eeff and WT,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 H3Δ1.