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Related papers: Theoretical Hyperfine Structures of $^{19}$F~I and…

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The hyperfine interaction constants of the 2p4(3P)3p 2Do_{3/2,5/2}, 4Do_{1/2-7/2} and 4Po_{1/2-5/2} levels in neutral fluorine are investigated theoretically. Large-scale calculations are carried out using the multiconfiguration…

Atomic Physics · Physics 2015-06-16 Thomas Carette , Messaoud Nemouchi , Jiguang Li , Michel Godefroid

We demonstrate the importance of electron correlation effects in the hyperfine structure constants of many low-lying states in $^{210}$Fr and $^{212}$Fr. This is achieved by calculating the magnetic dipole and electric quadrupole hyperfine…

Atomic Physics · Physics 2015-05-20 B. K. Sahoo , D. K. Nandy , B. P. Das , Y. Sakemi

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…

Atomic Physics · Physics 2015-09-16 Fuyang Zhou , Yizhi Qu , Jiguang Li , Jianguo Wang

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…

Atomic Physics · Physics 2018-12-06 E. A. Konovalova , Yu. A. Demidov , M. G. Kozlov , A. E. Barzakh

In previous work devoted to {\it ab initio} calculations of hyperfine structure constants in nitrogen and fluorine atoms, we observed sizeable relativistic effects, a priori unexpected for such light systems, that can even largely dominate…

Atomic Physics · Physics 2021-08-04 Fatima Zahra Boualili , Messaoud Nemouchi , Michel Godefroid , Per Jönsson

Relativistic magnetic hyperfine interaction Hamiltonian based on the Douglas-Kroll-Hess (DKH) theory up to the second order is implemented within the ab initio multireference methods including spin-orbit coupling in the Molcas/OpenMolcas…

Materials Science · Physics 2023-09-19 Aleksander L. Wysocki , Kyungwha Park

The multiconfiguration Dirac-Hartree-Fock (MCDHF) model has been employed to calculate the expectation values for the hyperfine splittings of the 5d96s2 2D3/2 and 5d96s2 2D5/2 levels of atomic gold. One-, two-, and three-body electron…

We demonstrate behaviors of correlation effects in the calculations of atomic properties through two commonly employed many-body methods; namely multiconfiguration Dirac-Hartree-Fock (MCDHF) and relativistic coupled-cluster (RCC) methods.…

Atomic Physics · Physics 2025-04-29 B. K. Sahoo , Per Jönsson , Gediminas Gaigalas

The $4d \to 3p$ x-ray transitions in Cu- and Ni-like tungsten ions have been studied theoretically. The multiconfiguration Dirac-Hartree-Fock (MCDHF) method and the large-scale relativistic configuration-interaction (CI) method have been…

Atomic Physics · Physics 2024-05-16 Karol Kozioł , Jacek Rzadkiewicz

We use the multiconfiguration Dirac-Hartree-Fock (MCDHF) method combined with the relativistic configuration interaction (RCI) approach (GRASP2K) to provide a consistent set of transition energies and radiative transition data for the lower…

Atomic Physics · Physics 2020-01-08 K. Wang , P. Jönsson , G. Del Zanna , M. Godefroid , Z. B. Chen , C. Y. Chen , J. Yan

Removal energies and hyperfine constants of the lowest four $ns, np_{1/2}$ and $np_{3/2}$ states in Na, K, Rb and Cs are calculated; removal energies of the n=7--10 states and hyperfine constants of the n=7 and 8 states in Fr are also…

Atomic Physics · Physics 2009-10-31 M. S. Safronova , W. R. Johnson , A. Derevianko

The relativistic multiconfiguration Dirac-Hartree-Fock (MCDHF) and the non-relativistic multiconfiguration Hartree-Fock (MCHF) methods have been employed to calculate the magnetic dipole and electric quadrupole hyperfine structure constants…

The magnetic hyperfine (MHF) structure of the $5/2^+$(0.0 eV) ground state and the low-lying $3/2^+$(7.8 eV) isomeric state of the $^{229}$Th nucleus in highly charged ions Th$^{89+}$ and Th$^{87+}$ is calculated. The distribution of the…

Nuclear Theory · Physics 2016-08-24 E. V. Tkalya , A. V. Nikolaev

The multiconfiguration Dirac-Hartree-Fock (MCDHF) and relativistic configuration interaction (RCI) methods are used to provide excitation energies, radiative transition data, lifetimes, Lande g-factors, hyperfine interaction constants and…

Silver is a key tracer of the weak r-process in late-type stars. However, when the assumption of local thermodynamic equilibrium (LTE) needs to be relaxed, accurate abundance determinations become even more sensitive to complete sets of…

Atomic Physics · Physics 2026-04-29 P. Jönsson , B. K. Sahoo , S. Caliskan , A. M. Amarsi

We analyze second-order $M1$-$M1$ and $M1$-$E2$ effects to the hyperfine structure (HFS) of the lowest energy $P$ states of alkali-metal atoms arising from the coupling of the two ($J=1/2,3/2$) fine-structure levels through the hyperfine…

Atomic Physics · Physics 2011-07-13 K. Beloy , A. Derevianko

Using relativistic multiconfiguration Dirac-Hartree-Fock method, we calculate the hyperfine-structure properties of the $2s2p$ $^3\!P_{J}$ state in $^9$Be. The hyperfine-structure properties encompass first-order hyperfine-structure…

Atomic Physics · Physics 2024-11-21 Yu-Shan Zhang , Wei Dang , Kai Wang , Yong-Bo Tang

We calculated the magnetic dipole and the electric quadrupole hyperfine interaction constants of 3s3p $^{3,1}P^o_1$ states and the isotope shift, including mass and field shift, factors for transitions from these two states to the ground…

Atomic Physics · Physics 2017-09-13 Tingxian Zhang , Luyou Xie , Jiguang Li , Zehuang Lu

The multiconfiguration Dirac-Hartree-Fock (MCDHF) method has been employed to calculate atomic electric dipole moments (EDM) of 225^Ra, 199^Hg, and 171^Yb. For the calculations of the matrix elements we extended the relativistic atomic…

Atomic Physics · Physics 2013-12-24 Laima Radziute , Gediminas Gaigalas , Per Jonsson , Jacek Biero

Using the multiconfiguration Dirac-Hartree-Fock (MCDHF) and the relativistic configuration interaction (RCI) methods, a consistent set of transition energies and radiative transition data for the lowest 150 states of the $3s^2 3p^3$, $3s…

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