Related papers: Calculation of hyperfine structure in Tm II
We calculate the A and B hyperfine constants for the low-lying states of 229Th3+ using a high-precision relativistic all-order approach. By combining these calculations with measurements of the 6d and 5f hyperfine constants [C. J. Campbell…
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…
Large scale ab initio calculations of the electric contribution (i.e. the electric field gradient) to the electric quadrupole hyperfine interaction constants $B$ for the $5p~^2P_{3/2}$ state in $^{109}$Cd$^+$ ion and the $5s5p~^3P_{1,2}$…
A large-scale configuration-interaction (CI) calculation is reported for the hyperfine splitting of the 2^2S and 3^2S states of ^7Li and ^9Be^+. The CI calculation based on the Dirac-Coulomb-Breit Hamiltonian is supplemented with a separate…
We present the results of first-principles cluster calculations of the electronic structure of La_2CuO_4. Several clusters containing up to nine copper atoms embedded in a background potential were investigated. Spin-polarized calculations…
We report the measurement of the hyperfine splitting in the $7D_{5/2}$ state of $^{133}$Cs using high resolution Doppler-free two-photon spectroscopy enabled by precise frequency scans using an acousto-optic modulator. All the six hyperfine…
In a previous work a model was proposed for the phase transitions of crystals with localized magnetic moments which at low temperature have a "conical" arrangement that at higher T transforms into a more symmetrical structure (depending on…
The hyperfine structure of atoms and ions is widely used in fundamental and applied research. Accurate knowledge of hyperfine splitting values is essential for quantum metrology applications as well as for improving the performance of…
We report a precise measurement of hyperfine constants in the $\rm{D_1} $ line ($ \rm {5\,P_{1/2}} $ state) of the two stable isotopes of Rb. The motivation for the work is to try and resolve discrepant values that exists in the literature.…
The Dirac-Hartree-Fock plus many-body perturbation theory (DHF+MBPT) method has been used to calculate hyperfine structure constants for Fr. Calculated hyperfine structure anomaly for hydrogen-like ion has been shown to be in good agreement…
Neutral uranium (U I) is a very difficult atom for theoretical calculations due to a large number of valence electrons, six, strong valence-valence and valence-core correlations, high density of states, and relativistic effects.…
Precision calculations of the fine and hyperfine structure of muonic atoms are performed in a relativistic approach and results for muonic 205 Bi, 147 Sm, and 89 Zr are presented. The hyperfine structure due to magnetic dipole and electric…
By combining our theoretical calculation and recently measured electric quadrupole hyperfine structure constant of the $3d ^2D_{5/2}$ state in the singly ionized $^{43}$Ca, we determine its nuclear quadrupole moment to one percent accuracy.…
We calculate the hyperfine structure constant for the Eu isotopes with shell model wave functions. The calculated results are compared with those predicted by the Moskowitz-Lombardi (M-L) empirical formula. It turns out that the two…
We have employed the relativistic coupled cluster theory to calculate the magnetic dipole and electric quadrupole hyperfine constants for the ground and low lying excited states of singly ionized magnesium. Comparison with experimental and…
Two different probes, viz., 111In/111Cd and 181Hf/181Ta, simultaneously have been incorporated in both pure rutile and Hafnium (Hf) -doped rutile Titanium Dioxide (TiO2) systems following a soft chemical method. The local information around…
The magnetic hyperfine structure constants have been calculated for low-lying levels in neutral gold atom and gold-like ion of mercury taking into account Bohr--Weisskopf (BW) effect. BW effect is represented as a product of atomic and…
Accurate predictions of hyperfine structure (HFS) constants are important in many areas of chemistry and physics, from the determination of nuclear electric and magnetic moments to benchmarking of new theoretical methods. We present a…
This work provides a theoretical exploration of the thermodynamic stability and magnetic behaviour of previously unknown ternary Li AgII F compounds. Convex-hull analysis shows that all predicted structures lie slightly above the LiF plus…
High-throughput (HTP) $ab$ $initio$ calculations are performed on 27,865 Heusler compositions, covering a broad range of regular, inverse, and half-Heusler compounds in both cubic and tetragonal phases. In addition to conventional stability…