The nuclear anapole moment interaction in BaF from relativistic coupled cluster theory

Abstract

We present high accuracy relativistic coupled cluster calculations of the P-odd interaction coefficient $W_A$ describing the nuclear anapole moment effect on the molecular electronic structure. The molecule under study, BaF, is considered a promising candidate for the measurement of the nuclear anapole moment, and the preparation for the experiment is now underway [Altunas et al., Phys. Rev. Lett. 120, 142501 (2018)]. Influence of various computational parameters (size of the basis set, treatment of relativistic effects, and treatment of electron correlation) on the calculated $W_A$ coefficient is investigated and a recommended value of 147.7 Hz with an estimated uncertainty of 1.5% is proposed.

arXiv comment9 pages, 3 figures, 3 tables, minor changes, the published version

References in corpus (19)

• Search for New Physics with Atoms and Molecules
• Violations of fundamental symmetries in atoms and tests of unification theories of elementary particles
• Using Molecules to Measure Nuclear Spin-Dependent Parity Violation
• Atomic Parity Nonconservation and Nuclear Anapole Moments
• The anapole moment and nucleon weak interactions
• Demonstration of a Sensitive Method to Measure Nuclear Spin-Dependent Parity Violation
• Ab initio study of radium monofluoride, RaF, as a candidate to search for P- and T,P- violation effects
• Enhancement of the electric dipole moment of the electron in BaF molecule
• Combined effect of coherent Z exchange and the hyperfine interaction in atomic PNC
• Electron correlation and nuclear charge dependence of parity-violating properties in open-shell diatomic molecules
• Study of the scalar-pseudoscalar interaction in the francium atom
• Systematic study of relativistic and chemical enhancements of $\mathcal{P},\mathcal{T}$-odd effects in polar diatomic radicals
• Relativistic study of the nuclear anapole moment effects in diatomic molecules
• Measuring Nuclear Spin Dependent Parity Violation With Molecules: Experimental Methods and Analysis of Systematic Errors
• Measurement scheme and analysis for weak ground state hyperfine transition moments through two-pathway coherent control
• Nuclear-spin dependent parity violation in diatomic molecular ions
• Lasercooled radium monofluoride: A molecular all-in-one probe for new physics
• Towards improved measurements of parity violation in atomic ytterbium
• Enhanced nuclear spin dependent parity violation effects using the 199HgH molecule

Cited by in corpus (21)

• The DIRAC code for relativistic molecular calculations
• Enhancement factor for the electric dipole moment of the electron in the BaOH and YbOH molecules
• Enhanced $\mathcal{P},\mathcal{T}$-violating nuclear magnetic quadrupole moment effects in laser-coolable molecules
• Nuclear spin-dependent parity-violating effects in light polyatomic molecules
• Hyperfine structure constants on the relativistic coupled cluster level with associated uncertainties
• Systematic study and uncertainty evaluation of $P,T$-odd molecular enhancement factors in BaF
• Benchmarking of the Fock space coupled cluster method and uncertainty estimation: Magnetic hyperfine interaction in the excited state of BaF
• Molecular enhancement factors for P, T-violating eEDM in BaCH${}_3$ and YbCH${}_3$ symmetric top molecules
• Accurate theoretical determination of the ionization potentials of CaF, SrF, and BaF
• Enhancement of parity-violating energy difference of H${}_2$X${}_2$ molecules by electronic excitation
• Electroweak Nuclear Properties from Single Molecular Ions in a Penning Trap
• Relativistic Coupled-Cluster Study of Diatomic Metal-Alkali Molecules for Electron Electric Dipole Moment Searches
• Laser spectroscopy and CP-violation sensitivity of actinium monofluoride
• High-resolution spectroscopy of barium monofluoride: Odd isotopologues, hyperfine structure and isotope shifts
• Magnetic hyperfine structure constants of ${}^{137}$BaF in the ${}^2{\Pi }_{1/2}$ and ${}^2{\Pi }_{3/2}$ excited states
• Theoretical determination of the ionization potentials of ScF, YF, LaF and AcF
• Ionization potential of radium monofluoride
• Nuclear-Spin Dependent Parity Violation in Optically Trapped Polyatomic Molecules
• Fundamental Neutron Physics: a White Paper on Progress and Prospects in the US
• Calculations of P and T -odd interaction constants of alkaline-earth monofluorides using KRCI method
• Atomic Parity Violation: Standard Model Tests