Theoretical study of thorium monoxide for the electron electric dipole moment search: Electronic properties of H{sup 3}Δ{sub 1} in ThO
- B.P. Konstantinov Petersburg Nuclear Physics Institute, Gatchina, Leningrad district 188300 (Russian Federation)
Recently, improved limits on the electron electric dipole moment, and dimensionless constant, k{sub T,P}, characterizing the strength of the T,P-odd pseudoscalar–scalar electron–nucleus neutral current interaction in the H{sup 3}Δ{sub 1} state of ThO molecule were obtained by the ACME collaboration [J. Baron et al., Science 343, 269 (2014)]. The interpretation of the experiment in terms of these fundamental quantities is based on the results of theoretical study of appropriate ThO characteristics, the effective electric field acting on electron, E{sub eff}, and a parameter of the T,P-odd pseudoscalar–scalar interaction, W{sub T,P}, given in Skripnikov et al. [J. Chem. Phys. 139, 221103 (2013)] by St. Petersburg group. To reduce the uncertainties of the given limits, we report improved calculations of the molecular state–specific quantities E{sub eff}, 81.5 GV/cm, and W{sub T,P}, 112 kHz, with the uncertainty within 7% of the magnitudes. Thus, the values recommended to use for the upper limits of the quantities are 75.8 GV/cm and 104 kHz, correspondingly. The hyperfine structure constant, molecule-frame dipole moment of the H{sup 3}Δ{sub 1} state, and the H{sup 3}Δ{sub 1} → X{sup 1}Σ{sup +} transition energy which, in general, can serve as a measure of reliability of the obtained E{sub eff} and W{sub T,P} values are also calculated. In addition, we report the first calculation of g-factor for the H{sup 3}Δ{sub 1} state of ThO. The results are compared to the earlier experimental and theoretical studies, and a detailed analysis of uncertainties of the calculations is given.
- OSTI ID:
- 22415826
- Journal Information:
- Journal of Chemical Physics, Vol. 142, Issue 2; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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