Electric dipole moment of the electron in YbF molecule

Abstract

Ab initio calculation of the hyperfine, P-odd, and P,T-odd constants for the YbF molecule was performed with the help of the recently developed technique, which allows to take into account correlations and polarization in the outercore region. The ground state electronic wave function of the YbF molecule is found with the help of the Relativistic Effective Core Potential method followed by the restoration of molecular four-component spinors in the core region of ytterbium in the framework of a non-variational procedure. Core polarization effects are included with the help of the atomic Many Body Perturbation Theory for Yb atom. For the isotropic hyperfine constant A, accuracy of our calculation is about 3% as compared to the experimental datum. The dipole constant Ad (which is much smaller in magnitude), though better than in all previous calculations, is still underestimated by almost 23%. Being corrected within a semiempirical approach for a perturbation of 4f-shell in the core of Yb due to the bond making, this error is reduced to 8%. Our value for the effective electric field on the unpaired electron is 4.9 a.u.=2.5E+10 V/cm.

7 pages, REVTEX

References in corpus (2)

• Enhancement of the electric dipole moment of the electron in BaF molecule
• Enhancement of the electric dipole moment of the electron in the YbF molecule

Cited by in corpus (41)

• Violations of fundamental symmetries in atoms and tests of unification theories of elementary particles
• Electric Dipole Moments of Nucleons, Nuclei, and Atoms: The Standard Model and Beyond
• Electric Dipole Moments of the Atoms, Molecules, Nuclei and Particles
• Measurement of the electron electric dipole moment using YbF molecules
• Flavour physics of leptons and dipole moments
• Using Molecules to Measure Nuclear Spin-Dependent Parity Violation
• CKM benchmarks for electron EDM experiments
• Measurement of the electron's electric dipole moment using YbF molecules: methods and data analysis
• Design for a fountain of YbF molecules to measure the electron's electric dipole moment
• Improved limits on axion-like-particle-mediated P,T-violating interactions between electrons and nucleons from electric dipole moments of atoms and molecules
• Enhancement of the electric dipole moment of the electron in PbO
• Towards the electron EDM search: Theoretical study of HfF+
• Theoretical study of ThF${}^{+}$ in the search for T,P-violation effects: Effective state of a Th atom in ThF${}^{+}$ and ThO compounds
• Calculation of $P_{a}nd$T_ odd effects in $"" sup 205_TIF including electron correlation
• Methods, Analysis, and the Treatment of Systematic Errors for the Electron Electric Dipole Moment Search in Thorium Monoxide
• Application of a Relativistic Coupled-Cluster Theory to the Effective Electric Field in YbF
• Concept of effective states of atoms in compounds to describe properties determined by the densities of valence electrons in atomic cores
• Electron correlation and nuclear charge dependence of parity-violating properties in open-shell diatomic molecules
• Relativistic coupled-cluster study of RaF as a candidate for parity and time reversal violating interaction
• Sensitivity of EDM experiments in paramagnetic atoms and molecules to hadronic CP violation
• Parity violation and electric dipole moments in atoms and molecules
• Relativistic study of the nuclear anapole moment effects in diatomic molecules
• Towards the search of electron electric dipole moment: correlation calculations of the P,T-violation effect in the Eu${}^{++}$ cation
• TaN molecule as a candidate to search for New physics
• A robust limit for the electric dipole moment of the electron
• Configuration interaction calculation of hyperfine and P,T-odd constants on ^{207}PbO excited states for the electron EDM experiments
• In search of the electron dipole moment: Ab initio calculations on ^207PbO excited states
• Two-step method for precise calculation of core properties in molecules
• TaN, a molecular system for probing $\mathcal{P},\mathcal{T}$-violating hadron physics
• Calculation of P,T-odd interaction constant of PbF using Z-vector method in the relativistic coupled-cluster framework
• Time reversal violating Magnetic Quadrupole Moment in heavy deformed nuclei
• Zeroth order regular approximation approach to electric dipole moment interactions of the electron
• Accounting for correlations with core electrons by means of the generalized relativistic effective core potentials: Atoms Hg and Pb and their compounds
• Axion-mediated electron-electron interaction in ytterbium monohydroxide molecule
• Advanced Cold Molecule Electron EDM
• Accuracy and efficiency of modern methods for electronic structure calculation on heavy- and superheavy-element compounds
• Accurate Evaluation of $\mathcal{P}$,$\mathcal{T}$-odd Faraday Effect in Atoms of Xe and Hg
• $\mathcal{P}$, $\mathcal{T}$-odd Faraday rotation in intracavity absorption spectroscopy with molecular beam as a possible way to improve the sensitivity of the search for the time reflection noninvariant effects in nature
• Transition from Majorana to Weyl fermions and anapole moments
• $\mathcal{P},\mathcal{T}$-odd effects in YbCu, YbAg and YbAu
• Study of P,T-Parity Violation Effects in Polar Heavy-Atom Molecules