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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 $mat
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
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 concent
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
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 in