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Register a new userCalculations of the atomic structure for the low-lying states of actinium
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We employ a technique that combines the configuration interaction method with the singles-doubles coupled-cluster method to perform calculation of the energy levels, transition amplitudes, lifetimes, g-factors, and magnetic dipole and electric quadrupole hyperfine structure constants for many low-lying states of neutral actinium. We find very good agreement with existing experimental energy levels and make accurate predictions for missing levels. It has been noted that some of the levels have been previously misidentified; our analysis supports this claim. If spectroscopy is performed with actinium-225, our calculations will lead to values for nuclear structure constants. The accuracy of this can be constrained by comparing with actinium-227.
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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 nuclear ($d_mathrm{nuc}$) factors. We have calculated the atomic factors, which enable one to extract BW-correction values for far from stability gold nuclei from the experimental data. The possible uncertainty of our atomic calculations have been estimated by the comparison with the available experimental data. It has been shown that the standard single-particle approach in $d_mathrm{nuc}$ calculation reasonably well describes experimental data for $11/2^-$ gold isomers and $3/2^+$ ground state of $rm ^{199}Au$. At the same time, it fails to describe the hyperfine constant in $^{197}mathrm{Au}$. This indicates the more pronounced configuration mixing in $rm ^{197}Au$ than in $rm ^{199}Au$.
The multi-configuration Dirac-Hartree-Fock method was employed to calculate the total and excitation energies, oscillator strengths and hyperfine structure constants for low-lying levels of Sm I. In the first-order perturbation approximation, we systematically analyzed correlation effects from each electrons and electron pairs. It was found that the core correlations are of importance for physical quantities concerned. Based on the analysis, the important configuration state wave functions were selected to constitute atomic state wave functions. By using this computational model, our excitation energies, oscillator strengths, and hyperfine structure constants are in better agreement with experimental values than earlier theoretical works.
We investigate roles of electron correlation effects in the determination of $g_j$ factors of the $ns~^2S_{1/2}$ ($n$=5,6,7), $np~^2P_{1/2,3/2}$ ($n$=5,6), $5d~^2D_{3/2,5/2}$, and $4f~^2F_{5/2,7/2}$ states of the singly ionized cadmium (Cd$^+$) ion. Single and double excited configurations along with important valence triple excited configurations through relativistic coupled-cluster (RCC) theory are taken into account for incorporating electron correlation effects in our calculations. We find significant contributions from the triples to the lower $S$ and $P$ states for attaining high accuracy results. The contributions of Breit interaction and lower-order quantum electrodynamics effects, such as vacuum polarization and self-energy corrections, are also estimated using the RCC theory and are quoted explicitly. In addition, we present energies of the aforementioned states from our calculations and compare them with the experimental results to validate $g_j$ values. Using the $g_j$ factor of the ground state, systematical shift due to the Zeeman effect in the microwave clock frequency of the $|5s~^2S_{1/2}, F=0,m_F=0 rangle leftrightarrow |5s~^2S_{1/2}, F=1,m_F=0 rangle$ transition in $^{113}$Cd$^+$ ion has been estimated.
Structural evolution in neutron-rich Os and W isotopes is investigated in terms of the Interacting Boson Model (IBM) Hamiltonian determined by (constrained) Hartree-Fock-Bogoliubov (HFB) calculations with the Gogny-D1S Energy Density Functional (EDF). The interaction strengths of the IBM Hamiltonian are produced by mapping the potential energy surface (PES) of the Gogny-EDF with quadrupole degrees of freedom onto the corresponding PES of the IBM system. We examine the prolate-to-oblate shape/phase transition which is predicted to take place in this region as a function of neutron number $N$ within the considered Os and W isotopic chains. The onset of this transition is found to be more rapid compared to the neighboring Pt isotopes. The calculations also allow prediction of spectroscopic variables (excited state energies and reduced transition probabilities) which are presented for the neutron-rich $^{192,194,196}$W nuclei, for which there is only very limited experimental data available to date.
By combining a recent precise measurement of the ionization energy of $^{87}$Rb with previous measurements of electronic and hyperfine structure, an accurate value for the $^{85}textrm{Rb}-^{87}textrm{Rb}$ isotope shift of the 5$^2S_{1/2}$ ground state can be determined. In turn, comparison with additional spectroscopic data makes it possible for the first time to evaluate isotope shifts for the low-lying excited states, accurate in most cases to about 1 MHz. In a few cases, the specific mass shift contribution can be determined in addition to the total shift. This information is particularly useful for spectroscopic analysis of transitions to Rydberg states, and for tests of atomic theory.
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