Enhanced effect of CP-violating nuclear magnetic quadrupole moment in HfF${}^{+}$ molecule

Abstract

HfF${}^{+}$ cation is a very promising system to search for the electron electric dipole moment (EDM), and corresponding experiment is carried out by E. Cornell group. Here we theoretically investigate the cation to search for another T,P-odd effect -- the nuclear magnetic quadrpole moment (MQM) interaction with electrons. We report the first accurate ab initio relativistic electronic structure calculations of the molecular parameter $W_M$=0.494 $\frac{10^{33}\mathrm{Hz}}{e{\mathrm{cm}}^2}$ that is required to interpret the experimental data in terms of the MQM of Hf nucleus. For this we have implemented and applied the combined Dirac-Coulomb(-Gaunt) and relativistic effective core potential approaches to treat electron correlation effects from all of the electrons and to take into account high-order correlation effects using the coupled cluster method with single, double, triple and noniterative quadruple cluster amplitudes, CCSDT(Q). We discuss interpretation of the MQM effect in terms of the strength constants of T,P-odd nuclear forces, proton and neutron EDM, QCD parameter $\theta$ and quark chromo-EDM.

References in corpus (14)

• Unraveling models of CP violation through electric dipole moments of light nuclei
• 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${}^{+}$
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• Ab initio study of radium monofluoride, RaF, as a candidate to search for P- and T,P- violation effects
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• Theoretical study of ThF${}^{+}$ in the search for T,P-violation effects: Effective state of a Th atom in ThF${}^{+}$ and ThO compounds
• 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
• Zeeman interaction in ThO $H^3{\Delta }_1$ for the electron EDM search
• Study of the scalar-pseudoscalar interaction in the francium atom
• Towards the search of T,P-odd interactions in lead monofluoride, PbF
• Manifestations of nuclear CP-violation in ThO molecule

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• Searches for exotic spin-dependent interactions with spin sensors
• $\mathcal{T},\mathcal{P}$-odd effects in the LuOH${}^{+}$ cation
• Enhanced Magnetic Quadrupole Moments in Nuclei with Octupole Deformation and their CP-violating effects in molecules
• Refined theoretical values of field and mass isotope shifts in thallium to extract charge radii of Tl isotopes
• Refined nuclear magnetic dipole moment of rhenium: ${}^{185}$Re and ${}^{187}$Re
• Parity and time-reversal symmetry violation in diatomic molecules: LaO, LaS and LuO
• Effect of the neutron quadrupole distribution in the TaO${}^{+}$ cation
• Ultracold high-spin $\Sigma$-state polar molecules for new physics searches