No Arabic abstract
A measurement of the magnitude of the electric dipole moment of the electron (eEDM) larger than that predicted by the Standard Model (SM) of particle physics is expected to have a huge impact on the search for physics beyond the SM. Polar diatomic molecules containing heavy elements experience enhanced sensitivity to parity ($P$) and time-reversal ($T$)-violating phenomena, such as the eEDM and the scalar-pseudoscalar (S-PS) interaction between the nucleons and the electrons, and are thus promising candidates for measurements. The NL-textit{e}EDM collaboration is preparing an experiment to measure the eEDM and S-PS interaction in a slow beam of cold BaF molecules [Eur. Phys. J. D, 72, 197 (2018)]. Accurate knowledge of the electronic structure parameters, $W_d$ and $W_s$, connecting the eEDM and the S-PS interaction to the measurable energy shifts is crucial for the interpretation of these measurements. In this work we use the finite field relativistic coupled cluster approach to calculate the $W_d$ and $W_s$ parameters in the ground state of the BaF molecule. Special attention was paid to providing a reliable theoretical uncertainty estimate based on investigations of the basis set, electron correlation, relativistic effects and geometry. Our recommended values of the two parameters, including conservative uncertainty estimates, are 3.13 $pm$ $0.12 times 10^{24}frac{text{Hz}}{ecdot text{cm}}$ for $W_d$ and 8.29 $pm$ 0.12 kHz for $W_s$.
Accurate evaluation of the $mathcal{P}$,$mathcal{T}$-odd Faraday effect (rotation of the polarization plane for the light propagating through a medium in presence of an external electric field) is presented. This effect can arise only due to the $mathcal{P}$,$mathcal{T}$-odd interactions and is different from the ordinary Faraday effect, i.e. the light polarization plane rotation in an external magnetic field. The rotation angle is evaluated for the ICAS (intracavity absorption spectroscopy) type experiments with Xe and Hg atoms. The results show that Hg atom may become a good candidate for a search for the $mathcal{P}$,$mathcal{T}$-odd effects in atomic physics.
We report first configuration interaction calculations of hyperfine constants A_parallel and the effective electric field W_d acting on the electric dipole moment of the electron, in two excited electronic states of ^{207}PbO. The obtained hyperfine constants, A_parallel = -3826 MHz for the a(1) state and A_parallel = 4887 MHz for the B(1) state, are in very good agreement with the experimental data, -4113 MHz and 5000 pm 200 MHz, respectively. We find W_d = -(6.1 ^{+1.8}_{-0.6}) 10^{24} Hz/(e cm) for a(1), and W_d = (8.0 pm 1.6) 10^{24} Hz/(e cm) for B(1). The obtained values are analyzed and compared to recent relativistic coupled cluster results and a semiempirical estimate of W_d for the a(1) state.
Triatomic molecule RaOH combines the advantages of laser-coolability and the spectrum with close opposite-parity doublets. This makes it a promising candidate for experimental study of the $mathcal{P}$,$mathcal{T}$-violation. Previous studies concentrated on the calculations for different geometries without the averaging over the rovibrational wave function and stressed the possibility that the dependence of the $mathcal{P}$, $mathcal{T}$ parameters on the bond angle may significantly alter the observed value. We obtain the rovibrational wave functions of RaOH in the ground electronic state and excited vibrational state using the close-coupled equations derived from the adiabatic Hamiltonian. The potential surface is constructed based on the two-component relativistic CCSD(T) computation employing the generalized relativistic effective core potential (GRECP) for the Radium atom. The averaged values of the parameters $E_{rm eff}$ and $E_s$ describing the sensitivity of the system to the electron electric dipole moment and the scalar-pseudoscalar nucleon-electron interaction are calculated and the value of $l$-doubling is obtained.
Present limit on the electron electric dipole moment ($e$EDM) is based on the electron spin precession measurement. We propose an alternative approach - observation of the $mathcal{P}$,$mathcal{T}$-odd Faraday effect in an external electric field on atoms and molecules using cavity-enhanced polarimetric scheme in combination with molecular (atomic) beam crossing the cavity. Our calculations of the effective electric fields and theoretical simulation of the proposed experiment on Tl and Pb atoms, PbF, YbF, ThO, and YbOH show that the present limit on the $e$EDM can be improved by 6-7 orders of magnitude.
We calculate interaction constants for the contributions from PT-odd scalar-pseudoscalar and tensor-pseudotensor operators to the electric dipole moment of ${}^{129}$Xe, for the first time in case of the former, using relativistic many-body theory including the effects of dynamical electron correlations. These interaction constants are necessary ingredients to relating the corresponding measurements to fundamental parameters in models of physics beyond the Standard Model. We obtain $alpha_{C_S} = left( 0.71 pm 0.18 right) [10^{-23}, e~text{cm}]$ and $alpha_{C_T}= left( 0.520 pm 0.049 right) [10^{-20}, left<Sigmaright>_{text{Xe}}, e~text{cm}]$, respectively. We apply our results to test a phenomenological relation between the two quantities, commonly used in the literature, and discuss their present and future phenomenological impact.