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Register a new userComment on Theoretical study of thorium monoxide for the electron electric dipole moment search: Electronic properties of ${H}^3Delta_1$ in ThO
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We present an updated EDM effective electric field of $E_{text{eff}} = 75.2left[frac{rm GV}{rm cm}right]$ and the electron-nucleon scalar-pseudoscalar interaction constant $W_S=107.8$ [kHz] for the ${^3Delta}_1$ science state of ThO. The criticisms made in reference [J. Chem. Phys. 142, 024301 (2015)] are addressed and largely found to be unsubstantiated within the framework of our approach.
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We recently set a new limit on the electric dipole moment of the electron (eEDM) (J. Baron et al., ACME collaboration, Science 343 (2014), 269-272), which represented an order-of-magnitude improvement on the previous limit and placed more stringent constraints on many CP-violating extensions to the Standard Model. In this paper we discuss the measurement in detail. The experimental method and associated apparatus are described, together with the techniques used to isolate the eEDM signal. In particular, we detail the way experimental switches were used to suppress effects that can mimic the signal of interest. The methods used to search for systematic errors, and models explaining observed systematic errors, are also described. We briefly discuss possible improvements to the experiment.
The current limit on the electrons electric dipole moment, $|d_mathrm{e}|<8.7times 10^{-29} e {cdotp} {rm cm}$ (90% confidence), was set using the molecule thorium monoxide (ThO) in the $J=1$ rotational level of its $H ^3Delta_1$ electronic state [Science $bf 343$, 269 (2014)]. This state in ThO is very robust against systematic errors related to magnetic fields or geometric phases, due in part to its $Omega$-doublet structure. These systematics can be further suppressed by operating the experiment under conditions where the $g$-factor difference between the $Omega$-doublets is minimized. We consider the $g$-factors of the ThO $H^3Delta_1$ state both experimentally and theoretically, including dependence on $Omega$-doublets, rotational level, and external electric field. The calculated and measured values are in good agreement. We find that the $g$-factor difference between $Omega$-doublets is smaller in $J=2$ than in $J=1$, and reaches zero at an experimentally accessible electric field. This means that the $H,J=2$ state should be even more robust against a number of systematic errors compared to $H,J=1$.
A method and code for calculations of diatomic molecules in the external variable electromagnetic field have been developed. Code applied for calculation of systematics in the electrons electric dipole moment search experiment on ThO $H^3Delta_1$ state related to geometric phases, including dependence on $Omega$-doublet, rotational level, and external static electric field. It is found that systematics decrease cubically with respect to the frequency of the rotating transverse component of the electric field. Calculation confirms that experiment on ThO $H^3Delta_1$ state is very robust against systematic errors related to geometric phases.
We report the theoretical investigation of the suppression of magnetic systematic effects in HfF$^+$ cation for the experiment to search for the electron electric dipole moment. The g-factors for $J = 1$, $F=3/2$, $|M_F|=3/2$ hyperfine levels of the $^3Delta_1$ state are calculated as functions of the external electric field. The lowest value for the difference between the g-factors of $Omega$-doublet levels, $Delta g = 3 times 10^{-6}$, is attained at the electric field 7 V/cm. The body-fixed g-factor, $G_{parallel}$, was obtained both within the electronic structure calculations and with our fit of the experimental data from [H. Loh, K. C. Cossel, M. C. Grau, K.-K. Ni, E. R. Meyer, J. L. Bohn, J. Ye, and E. A. Cornell, Science {bf 342}, 1220 (2013)]. For the electronic structure calculations we used a combined scheme to perform correlation calculations of HfF$^+$ which includes both the direct 4-component all-electron and generalized relativistic effective core potential approaches. The electron correlation effects were treated using the coupled cluster methods. The calculated value $G_{parallel}=0.0115$ agrees very well with the $G_{parallel}=0.0118$ obtained in the our fitting procedure. The calculated value $D_{parallel}=-1.53$ a.u. of the molecule frame dipole moment (with the origin in the center of mass) is in agreement with the experimental value $D_{parallel}=-1.54(1)$ a.u. [H. Loh, Ph.D. thesis, Massachusetts Institute of Technology (2006)].
The energy splitings for $J = 1$, $F=3/2$, $|M_F|=3/2$ hyperfine levels of the $^3Delta_1$ electronic state of $^{180}$Hf$^{19}$F$^+$ ion are calculated as functions of the external variable electric and magnetic fields within two approaches. In the first one transition to the rotating frame is performed, whereas in the second approach the quantization of rotating electromagnetic field is performed. Calculations are required for understanding possible systematic errors in the experiment to search for electron electric dipole moment (eEDM) on $^{180}$Hf$^{19}$F$^+$ ion.
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