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Register a new userPrecision calculation of hyperfine constants for extracting nuclear moments of 229Th
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Determination of nuclear moments for many nuclei relies on the computation of hyperfine constants, with theoretical uncertainties directly affecting the resulting uncertainties of the nuclear moments. In this work we improve the precision of such method by including for the first time an iterative solution of equations for the core triple cluster amplitudes into the relativistic coupled-cluster method, with large-scale complete basis sets. We carried out calculations of the energies and magnetic dipole and electric quadrupole hyperfine structure constants for the low-lying states of 229Th^(3+) in the framework of such relativistic coupled-cluster single double triple (CCSDT) method. We present a detailed study of various corrections to all calculated properties. Using the theory results and experimental data we found the nuclear magnetic dipole and electric quadrupole moments to be mu = 0.366(6)*mu_N and Q = 3.11(2) eb, and reducing the uncertainty of the quadrupole moment by a factor of three. The Bohr-Weisskopf effect of the finite nuclear magnetization is investigated, with bounds placed on the deviation of the magnetization distribution from the uniform one.
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We report a fourfold improvement in the determination of nuclear magnetic moments for neutron-deficient isotopes of francium-207--213, reducing the uncertainties from 2% for most isotopes to 0.5%. These are found by comparing our high-precision calculations of hyperfine structure constants for the ground states with experimental values. In particular, we show the importance of a careful modeling of the Bohr-Weisskopf effect, which arises due to the finite nuclear magnetization distribution. This effect is particularly large in Fr and until now has not been modeled with sufficiently high accuracy. An improved understanding of the nuclear magnetic moments and Bohr-Weisskopf effect are crucial for benchmarking the atomic theory required in precision tests of the standard model, in particular atomic parity violation studies, that are underway in francium.
$^{229}$Th is a promising candidate for developing a nuclear optical clock and searching the new physics beyond the standard model. Accurate knowledge of the nuclear properties of $^{229}$Th is very important. In this work, we calculate hyperfine-structure constants for the first four states of $^{229}$Th$^{3+}$ using the relativistic coupled-cluster method based on the Gauss basis set. The no-pair Dirac-Coulomb-Breit Hamiltonian with the lowest-order quantum electrodynamics (QED) correction is the starting point, together with all linear and non-linear terms of single and double excitations are included in coupled-cluster calculation. With the measured value of the hyperfine-structure constants [Phys. Rev. Lett. 106. 223001(2011)], we get the magnetic dipole moment, $mu=0.359(9)$, and the electric quadrupole moment, $Q=2.95(7)$, of the $^{229}$Th nucleus. Our magnetic dipole moment is perfectly consistent with the recommended values, $mu=0.360(7)$, from the all-order calculation by Safronova textit{et. al.}[Phys.Rev.A 88, 060501 (2013)], but our electric quadrupole moment is smaller than their recommended value, $Q=3.11(6)$, about 5%. Our results show that the non-linear terms of single and double excitations, which were not included in the all-order calculation by Safronova textit{et. al.}, are very crucial to produce a precise $Q$ value of $^{229}$Th. Additionally, we also present magnetic octupole hyperfine-structure constants and some important non-diagonal hyperfine transition matrix elements, which are required for further extracting the magnetic octupole moment $Omega$ of $^{229}$Th nucleus.
The hyperfine structures of the $2,^3!S_1$ states of the $^6$Li$^+$ and $^7$Li$^+$ ions are investigated theoretically to extract the Zemach radii of the $^6$Li and $^7$Li nuclei by comparing with precision measurements. The obtained Zemach radii are larger than the previous values of Puchalski and Pachucki [href{https://link.aps.org/doi/10.1103/PhysRevLett.111.243001}{Phys. Rev. Lett. {bf 111}, 243001 (2013)}] and disagree with them by about 1.5 and 2.2 standard deviations for $^6$Li and $^7$Li, respectively. Furthermore, our Zemach radius of $^6$Li differs significantly from the nuclear physics value, derived from the nuclear charge and magnetic radii [href{https://link.aps.org/doi/10.1103/PhysRevA.78.012513}{Phys. Rev. A {bf 78}, 012513 (2008)}], by more than 6 sigma, indicating an anomalous nuclear structure for $^6$Li. The conclusion that the Zemach radius of $^7$Li is about 40% larger than that of $^6$Li is confirmed. The obtained Zemach radii are used to calculate the hyperfine splittings of the $2,^3!P_J$ states of $^{6,7}$Li$^+$, where an order of magnitude improvement over the previous theory has been achieved for $^7$Li$^+$.
Energy levels of 30 low-lying states of Lu2+ and allowed electric-dipole matrix elements between these states are evaluated using a relativistic all-order method in which all single, double and partial triple excitations of Dirac-Fock wave functions are included to all orders of perturbation theory. Matrix elements are critically evaluated for their accuracy and recommended values of the matrix elements are given together with uncertainty estimates. Line strengths, transition rates and lifetimes of the metastable 5d(3/2) and 5d(5/2) states are calculated. Recommended values are given for static polarizabilities of the 6s, 5d and 6p states and tensor polarizabilities of the 5d and 6p(3/2) states. Uncertainties of the polarizability values are estimated in all cases. The blackbody radiation shift of the 6s(1/2)-5d(5/2) transition frequency of the Lu2+ ion is calculated with the aid of the recommended scalar polarizabilities of the 6s(1/2) and 5d(5/2) states. Finally, A and B hyperfine constants are determined for states of 175Lu2+ with n <= 9. This work provides recommended values of transition matrix elements, polarizabilities and hyperfine constants of Lu2+, critically evaluated for accuracy, for benchmark tests of high-precision theoretical methodology and planning of future experiments.
We report first configuration interaction calculations of hyperfine constants A_parallel and the effective electric field W_d acting on the electric dipole moment of the electron, in two excited electronic states of ^{207}PbO. The obtained hyperfine constants, A_parallel = -3826 MHz for the a(1) state and A_parallel = 4887 MHz for the B(1) state, are in very good agreement with the experimental data, -4113 MHz and 5000 pm 200 MHz, respectively. We find W_d = -(6.1 ^{+1.8}_{-0.6}) 10^{24} Hz/(e cm) for a(1), and W_d = (8.0 pm 1.6) 10^{24} Hz/(e cm) for B(1). The obtained values are analyzed and compared to recent relativistic coupled cluster results and a semiempirical estimate of W_d for the a(1) state.
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