High Precision Relativistic Atomic Structure Calculations Using the Finite Basis Set Approximation

Author(s):  
H. M. Quiney
2008 ◽  
Vol 86 (1) ◽  
pp. 33-43 ◽  
Author(s):  
K T Cheng ◽  
M H Chen ◽  
W R Johnson ◽  
J Sapirstein

High-precision relativistic atomic-structure calculations based on the relativistic many-body perturbation theory and the relativistic configuration-interaction method are shown to provide stringent tests of strong-field quantum electrodynamic (QED) corrections when compared with electron beam ion trap measurements of the spectra of highly charged, many-electron ions. It is further shown that theory and experiment are accurate enough to test not just the leading screened QED corrections but also smaller contributions from higher order Breit interactions, relaxed-core QED corrections, two-loop Lamb shifts, negative-energy state corrections, nuclear polarizations, and nuclear recoils. PACS Nos. 31.30.Jv, 32.30.Rj, 31.25.–v, 31.15.Ar


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

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