atomic structure calculations
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Author(s):  
Elgiva White ◽  
Gerard O'Sullivan ◽  
Padraig Dunne

Abstract Spectra of laser-produced plasmas of cerium have been recorded in the 1.5 to 15.5 nm spectral region. The plasmas were formed using the frequency doubled pulsed output of a neodymium-doped yttrium aluminium garnet (Nd:YAG) laser at 532 nm. At the power densities incident on-target, ranging from 8.6×109- 2.1×1013W cm-2, Ce4+ to Ce27+ ions gave rise to emission from ∆n = 0, 1 transitions to final states where n = 4. The spectra are dominated by an intense unresolved transition array (UTA) in the 8-10 nm region arising from n = 4 to n = 4 transitions. Two distinct components of this UTA are observed whose appearance is strongly dependent on laser power density, corresponding to transitions involving ions with open 4d and open 4f subshells, the latter at longer wavelengths. Multiple other transition arrays are identified and UTA statistics are given. The analysis was aided by atomic structure calculations and the use of a steady state collisional-radiative (CR) model.


2021 ◽  
Vol 923 (2) ◽  
pp. 186
Author(s):  
Sacha Schiffmann ◽  
Tomas Brage ◽  
Philip Gordon Judge ◽  
Alin Razvan Paraschiv ◽  
Kai Wang

Abstract We perform a detailed theoretical study of the atomic structure of ions with ns 2 np m ground configurations and focus on departures from LS coupling, which directly affect the Landé g factors of magnetic dipole lines between levels of the ground terms. Particular emphasis is given to astrophysically abundant ions formed in the solar corona (those with n = 2,3) with M1 transitions spanning a broad range of wavelengths. Accurate Landé g factors are needed to diagnose coronal magnetic fields using measurements from new instruments operating at visible and infrared wavelengths, such as the Daniel K. Inouye Solar Telescope. We emphasize an explanation of the dynamics of atomic structure effects for nonspecialists.


Atoms ◽  
2021 ◽  
Vol 9 (3) ◽  
pp. 50
Author(s):  
Charlotte Froese Fischer

The paper reviews the history of B-spline methods for atomic structure calculations for bound states. It highlights various aspects of the variational method, particularly with regard to the orthogonality requirements, the iterative self-consistent method, the eigenvalue problem, and the related sphf, dbsr-hf, and spmchf programs. B-splines facilitate the mapping of solutions from one grid to another. The following paper describes a two-stage approach where the goal of the first stage is to determine parameters of the problem, such as the range and approximate values of the orbitals, after which the level of accuracy is raised. Once convergence has been achieved the Virial Theorem, which is evaluated as a check for accuracy. For exact solutions, the V/T ratio for a non-relativistic calculation is −2.


Atoms ◽  
2020 ◽  
Vol 8 (4) ◽  
pp. 92
Author(s):  
Narendra Singh ◽  
Sunny Aggarwal ◽  
Man Mohan

We report an extensive and elaborate theoretical study of atomic properties for Pm-like and Eu-like Tungsten using Flexible Atomic Code (FAC). Excitation energies for 304 and 500 fine structure levels are presented respectively, for W11+ and W13+. Properties of the 4f-core-excited states are evaluated. Different sets of configurations are used and the discrepancies in identifications of the ground level are discussed. We evaluate transition wavelength, transition probability, oscillator strength, and collisional excitation cross section for various transitions. Comparisons are made between our calculated values and previously available results, and good agreement has been achieved. We have predicted some new energy levels and transition data where no other experimental or theoretical results are available. The present set of results should be useful in line identification and interpretation of spectra as well as in modelling of fusion plasmas.


Atoms ◽  
2020 ◽  
Vol 8 (4) ◽  
pp. 85
Author(s):  
Charlotte Froese Fischer ◽  
Andrew Senchuk

Variational methods are used extensively in the calculation of transition rates for numerous lines in a spectrum. In the GRASP code, solutions of the multiconfiguration Dirac–Hartree–Fock (MCDHF) equations that optimize the orbitals are represented by numerical values on a grid using finite differences for integration and differentiation. The numerical accuracy and efficiency of existing procedures are evaluated and some modifications proposed with heavy elements in mind.


2020 ◽  
Vol 232 ◽  
pp. 04009
Author(s):  
B. P. McCormick ◽  
A. E. Stuchbery ◽  
A. Goasduff ◽  
A. Kusoglu ◽  
G. Georgiev

A promising technique for g-factor measurements on short-lived nuclear states utilises the hyperfine fields of free ions in vacuum. To fully utilise this technique the hyperfine interaction must be modelled based on atomic structure calculations. Atomic structure calculations were performed using the most recent release of the General Relativistic Atomic Structure Package, and Monte-Carlo simulations of atomic-decay cascades in highly charged ions were developed. The simulations were used to fit experimental data on excited 56Fe ions recoiling in vacuum with a view to determining the first-excited state g factor, g(21+), of 56Fe.


2020 ◽  
Vol 1412 ◽  
pp. 132027
Author(s):  
AMP Mendez ◽  
J I Di Filippo ◽  
S D Lopez ◽  
D M Mitnik

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