Theoretical study of ThF${}^{+}$ in the search for T,P-violation effects: Effective state of a Th atom in ThF${}^{+}$ and ThO compounds

Abstract

We report the results of theoretical investigation of electronic structure of ThF${}^{+}$ cation which is one of the most interesting systems to search for the electron electric dipole moment (eEDM) [H. Loh, K.C. Cossel, M.C. Grau, K.-K. Ni, E.R. Meyer, J.L. Bohn, J. Ye, E.A. Cornell, Science {\bf 342}, 1220 (2013)] and other effects of violation of time reversal (T) and spacial parity (P) symmetries in fundamental interactions. For the working ${}^3{\Delta }_1$ state we have found a quite high value of the effective electric field acting on unpaired electrons (37.3 GV/cm). The field will be required to interpret the experiment planed on ThF${}^{+}$ in terms of eEDM. Within the concept of atoms in compounds [A.V. Titov, Y.V. Lomachuk, and L.V. Skripnikov, Phys. Rev. A {\bf 90}, 052522 (2014)] we have compared the ThF${}^{+}$ electronic structure with that of ThO. Also we have calculated other parameters of T,P-odd interactions: $W_{T,P}$, which is needed for interpretation of the experiment in terms of the dimensionless constant $k_{T,P}$ characterizing the strength of the T,P-odd pseudoscalar$-$scalar electron$-$nucleus neutral current interaction (50 kHz); $W_M$, which is required to search for the Th nuclear magnetic quadrupole moment in ${}^{229}$ThF${}^{+}$ (0.88 $\frac{10^{33}\mathrm{Hz}}{e{\mathrm{cm}}^2}$). A number of properties which can be measured are also calculated: hyperfine structure constant, the molecule-frame dipole moment, and g-factor.

References in corpus (13)

• Candidate molecular ions for an electron electric dipole moment experiment
• Time-reversal symmetry violation in molecules induced by nuclear magnetic quadrupole moments
• Prospects for an electron electric dipole moment search in metastable ThO and ThF${}^{+}$
• Ab initio study of radium monofluoride, RaF, as a candidate to search for P- and T,P- violation effects
• Theoretical study of thorium monoxide for the electron electric dipole moment search, II: Electronic properties of $H^3{\Delta }_1$ in ThO
• Application of a Relativistic Coupled-Cluster Theory to the Effective Electric Field in YbF
• Broadband velocity modulation spectroscopy of HfF^+: towards a measurement of the electron electric dipole moment
• 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
• Zeeman interaction in ThO $H^3{\Delta }_1$ for the electron EDM search
• Towards the search of T,P-odd interactions in lead monofluoride, PbF
• Manifestations of nuclear CP-violation in ThO molecule
• Variation of fundamental constants in space and time: theory and observations

Cited by in corpus (15)

• Combined 4-component and relativistic pseudopotential study of ThO for the electron electric dipole moment search
• Study of the scalar-pseudoscalar interaction in the francium atom
• Nuclear magnetization distribution effect in molecules: Ra${}^{+}$ and RaF hyperfine structure
• Approaching meV level for transition energies in the radium monofluoride molecule RaF and radium cation Ra${}^{+}$ by including quantum-electrodynamics effects
• Enhanced effect of CP-violating nuclear magnetic quadrupole moment in HfF${}^{+}$ molecule
• $\mathcal{P}$,$\mathcal{T}$-odd effects for RaOH molecule in the excited vibrational state
• Spectroscopy on the eEDM-sensitive states of ThF${}^{+}$
• Calculations of Time-Reversal Symmetry Violation Sensitivity Parameters Based on Analytic Relativistic Coupled-Cluster Gradient Theory
• The role of QED effects in transition energies of heavy-atom alkaline earth monofluoride molecules: a theoretical study of Ba${}^{+}$, BaF, RaF and E120F
• Laser-coolable AcOH${}^{+}$ ion for $\mathcal{C}\mathcal{P}$-violation searches
• Rovibrational structure of the Ytterbium monohydroxide molecule and the $\mathcal{P}$,$\mathcal{T}$-violation searches
• Visible and Ultraviolet Laser Spectroscopy of ThF
• Effect of nuclear magnetization distribution within the Woods-Saxon model: Hyperfine splitting in neutral Tl
• Global and local approaches to population analysis: bonding patterns in superheavy element compounds
• Effect of the neutron quadrupole distribution in the TaO${}^{+}$ cation