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تسجيل مستخدم جديدZeeman interaction in ThO $H^3Delta_1$ for the electron EDM search
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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 $H,J=1$.
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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 $H^3Delta_1$ sta
te 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.
Experimental searches for the electron electric dipole moment (EDM) probe new physics beyond the Standard Model. The current best EDM limit was set by the ACME Collaboration [Science textbf{343}, 269 (2014)], constraining time reversal symmetry ($T$)
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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)].
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ade 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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