scholarly journals Breit and QED contributions in atomic structure calculations of tungsten ions

Author(s):  
Karol Kozioł
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 ◽  
2016 ◽  
Vol 4 (3) ◽  
pp. 22 ◽  
Author(s):  
Arun Goyal ◽  
Indu Khatri ◽  
Avnindra Singh ◽  
Man Mohan ◽  
Rinku Sharma ◽  
...  

2019 ◽  
Vol 26 (6) ◽  
pp. 062704 ◽  
Author(s):  
A. K. Singh ◽  
Dishu Dawra ◽  
Mayank Dimri ◽  
Alok K. S. Jha ◽  
Man Mohan

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.


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