Relativistic Fock space coupled cluster study of bismuth electronic structure to extract the Bi nuclear quadrupole moment

Abstract

We report the value of the electric quadrupole moment of ${}^{209}$Bi extracted from the atomic data. For this, we performed electronic structure calculations for the ground ${}^4{S}_{3/2}^o$ and excited ${}^2{P}_{3/2}^o$ states of atomic Bi using the Dirac-Coulomb-Breit Hamiltonian and the Fock space coupled cluster method with single, double, and full triple amplitudes for the three-particle Fock space sector. The value of the quadrupole moment of ${}^{209}$Bi, $Q{(}^{209}$Bi$)=-418(6)$~mb, derived from the resulting electric field gradient values and available atomic hyperfine splittings is in excellent agreement with molecular data. Due to the availability of the hyperfine constants for unstable isotopes of Bi, current atomic calculation allows also to correct their quadrupole moments.

References in corpus (15)

• Enhanced T-odd P-odd Electromagnetic Moments in Reflection Asymmetric Nuclei
• Collective T- and P- Odd Electromagnetic Moments in Nuclei with Octupole Deformations
• Combined 4-component and relativistic pseudopotential study of ThO for the electron electric dipole moment search
• Theoretical study of thorium monoxide for the electron electric dipole moment search, II: Electronic properties of $H^3{\Delta }_1$ in ThO
• Test of many-electron QED effects in the hyperfine splitting of heavy high-Z ions
• Theoretical study of HfF${}^{+}$ cation to search for the T,P-odd interactions
• New Nuclear Magnetic Moment of ${}^{209}$Bi - Resolving the Bismuth Hyperfine Puzzle
• Relativistic coupled cluster calculations of spectroscopic and chemical properties for element 120
• 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
• TaN molecule as a candidate to search for New physics
• Actinide and lanthanide molecules to search for strong CP-violation
• Search for CP-violating nuclear magnetic quadrupole moment using the LuOH${}^{+}$ cation
• Many body study of $g$-factor in boron-like argon

Cited by in corpus (6)

• Nuclear DFT analysis of electromagnetic moments in odd near doubly magic nuclei
• Generalized relativistic small-core pseudopotentials accounting for quantum electrodynamic effects: construction and pilot applications
• Compound-tunable embedding potential method to model local electronic excitations on $f$-element ions in solids: Pilot relativistic coupled cluster study of Ce and Th impurities in yttrium orthophosphate, YPO${}_4$
• A puzzle on isomeric configurations in and around $N=126$ closed shell
• Finite-order method to calculate approximate density matrices in the Fock-space multireference coupled cluster theory
• Relativistic atomic structure calculations in support of spectroscopy