Relativistic coupled-cluster study of BaF in search of $\mathcal{C}\mathcal{P}$ violation

Abstract

BaF is one of the potential candidates for the experimental search of the electric dipole moment of the electron (eEDM). The NL-eEDM collaboration is building a new experimental set up to measure the eEDM using the BaF molecule [The NL-eEDM collaboration, Eur. Phys. J. D (2018) 72: 197]. To analyze the results of such an experiment, one would require the accurate value of the molecular $\mathcal{P},\mathcal{T}$-odd interaction parameters that cannot be measured from any experiment. In this work, we report the precise value of the $\mathcal{P},\mathcal{T}$-odd interaction parameters of the BaF molecule obtained from the four-component relativistic coupled-cluster calculations. We also calculate the hyperfine structure (HFS) constants of the same molecule to assess the reliability of the reported molecular parameters. The calculated HFS constants show good agreement with the available experimental values. Further, the systematic effects of electron-correlation along with the roles of inner-core electrons and the virtual energy functions in the calculation of the studied properties of BaF are investigated.

arXiv comment14 pages, 2 figures

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Cited by in corpus (6)

• Quark level and hadronic contributions to the electric dipole moment of charged leptons in the standard model
• Systematic study and uncertainty evaluation of $P,T$-odd molecular enhancement factors in BaF
• Calculations of Time-Reversal Symmetry Violation Sensitivity Parameters Based on Analytic Relativistic Coupled-Cluster Gradient Theory
• Relativistic Exact Two-Component Coupled-Cluster Study of Molecular Sensitivity Factors for Nuclear Schiff Moments
• Vibrational Branching Ratios for Laser-Cooling of Nonlinear Strontium-Containing Molecules
• $\mathcal{P},\mathcal{T}$-odd effects in YbCu, YbAg and YbAu