Communication: 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-3 Delta(1) state of ThO molecule was proposed and now prepared 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 T,P-odd pseudoscalar-scalar electron-nucleus neutral current interaction, an accurate theoretical study of an effective electric field on electron, E-eff, and a parameter of the T, P-odd pseudoscalar-scalar interaction, W-T,W- P, in ThO is required. We report our results for E-eff (84 GV/cm) and W-T,W- P (116 kHz) together with the hyperfine structure constant, molecule frame dipole moment, and H-3 Delta(1) -> X-1 Sigma(+) transition energy, which can serve as a measure of reliability of the obtained E-eff and W-T,W- P values. Besides, our results include a parity assignment and evaluation of the electric-field dependence for the magnetic g factors in the Omega-doublets of H-3 Delta(1). (C) 2013 AIP Publishing LLC.