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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

By use of the \textsc{grasp2018} package we perform Multiconfiguration Dirac-Hartree-Fock (MCDHF) calculations with configuration interaction (CI) for the $^{1}S_{0}$ and $^{3}P_{0,1}^o$ levels in neutral cadmium and mercury. By supplying…

Atomic Physics · Physics 2022-02-14 Jesse S. Schelfhout , John J. McFerran

The multiconfiguration Dirac-Hartree-Fock (MCDHF) model has been employed to calculate the transition rates between the nine lowest levels of radium. The dominant rates were then used to evaluate the radiative lifetimes. The decay of the…

Atomic Physics · Physics 2009-11-13 Jacek Bieron , Paul Indelicato , Per Jonsson

Multiconfiguration Dirac-Hartree-Fock (MCDHF) and relativistic configuration interaction (RCI) calculations were performed for 28 and 78 states in neutral and singly ionized aluminium, respectively. In Al I, the configurations of interest…

Atomic Physics · Physics 2018-12-26 A. Papoulia , J. Ekman , P. Jönsson

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…

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 present extensive multiconfiguration Dirac-Hartree-Fock and relativistic configuration interaction calculations including 106 states in doubly ionized silicon (Si III) and 45 states in triply ionized silicon (Si iv), which are important…

Atomic Physics · Physics 2019-10-16 Betül Atalay , Tomas Brage , Per Jönsson , Henrik Hartman

Extensive self-consistent multi-configuration Dirac-Hartree-Fock (MCDHF) calculations are performed for the $3s^2 3p^6 3d^k$ ($k=1-9$) ground configurations of highly charged ions ($Z=72-83$). Complete and consistent data sets of…

Atomic Physics · Physics 2017-11-22 ZhanLong Zhao , Kai Wang , Shuang Li , Ran Si , ChongYang Chen , Jun Yan , Yuri Ralchenko

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

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.…

Atomic Physics · Physics 2020-10-14 Igor M. Savukov

Relativistic multiconfiguration Dirac-Hartree-Fock (MCDHF) calculations with configuration interaction (CI) are carried out for the $^{1}S_{0}$ and $^{3}P_{0,1}^o$ states in neutral ytterbium by use of the available GRASP2018 package. From…

Atomic Physics · Physics 2021-08-16 Jesse S. Schelfhout , John J. McFerran

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

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

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

Atomic properties of S-like W are evaluated through a state-of-the-art method, namely, the multi-configuration Dirac-Hartree-Fock (MCDHF) method combined with the relativistic configuration interaction (RCI) approach. The level energies,…

Atomic Physics · Physics 2020-03-25 Chun Yu Zhang , Kai Wang , Michel Godefroid , Per Jönsson , Ran Si , Chong Yang Chen

Accurate and comprehensive atomic data are essential for the modelling of stellar spectra. Uncertainties in the oscillator strengths of specific lines used for abundance analyses directly translate into uncertainties in the derived…

Atomic Physics · Physics 2026-02-03 W. Li , A. M. Amarsi , P. Jönsson

Accurate and extensive atomic data are essential for spectroscopic analyses of stellar atmospheres and other astronomical objects. We present energy levels, lifetimes, and transition probabilities for neutral nitrogen, the sixth most…

Atomic Physics · Physics 2023-03-15 Meichun Li , Wenxian Li , P. Jönsson , Anish M. Amarsi , Jon Grumer

Large-scale calculations of atomic structures and radiative properties have been carried out for singly, doubly- and trebly ionized cerium. For this purpose, the purely relativistic multiconfiguration Dirac-Hartree-Fock (MCDHF) method was…

Atomic Physics · Physics 2020-12-09 H. Carvajal Gallego , P. Palmeri , P. Quinet

The multiconfiguration time-dependent Hartree-Fock (MCTDHF) method is formulated for treating the coupled electronic and nuclear dynamics of diatomic molecules without the Born- Oppenheimer approximation. The method treats the full…

Computational Physics · Physics 2015-05-27 Daniel J. Haxton , Keith V. Lawler , C. William McCurdy

In this study a comprehensive calculations of energies, hyperfine structure constants, Land\'e g$_J$ factors and isotope shifts have been performed for the lowest 71 states of Na-like Ar$^{7+}$, Kr$^{25+}$ and Xe$^{43+}$ ions. Radiative…

Atomic Physics · Physics 2025-01-22 Shikha Rathi , Lalita Sharma
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