Improvement of the basis for the solution of the Dirac equation in Cassini coordinates
- Authors: Hahn W.1,2, Artemyev A.N.3, Surzhykov A.4,5
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Affiliations:
- Skolkovo Institute of Science and Technology
- Institut für Theoretische Physik
- Institut für Physik
- Physikalisch-Technische Bundesanstalt
- Technische Universität Braunschweig
- Issue: Vol 123, No 2 (2017)
- Pages: 225-230
- Section: Spectroscopy of Atoms and Molecules
- URL: https://journal-vniispk.ru/0030-400X/article/view/165480
- DOI: https://doi.org/10.1134/S0030400X17080094
- ID: 165480
Cite item
Abstract
We propose an improvement of the basis for the solution of the stationary two-centre Dirac equation in Cassini coordinates using the finite-basis-set method presented in our earlier article [J. Phys. B 43, 235207 (2010)]. For the calculations in the above article, we constructed the basis for approximating the energy eigenfunctions by using smooth piecewise defined polynomials, called B-splines. In the present article, we report that an analysis of the employed representation of the Dirac matrices shows that the above approximation is not efficient using B-splines only. Therefore, we include basis functions which are defined using functions with step-like behavior instead of B-splines. Thereby, we achieve a significant increase of accuracy of results.
About the authors
W. Hahn
Skolkovo Institute of Science and Technology; Institut für Theoretische Physik
Author for correspondence.
Email: w.hahn@skoltech.ru
Russian Federation, Moscow, 143026; Heidelberg, 69120
A. N. Artemyev
Institut für Physik
Email: w.hahn@skoltech.ru
Germany, Kassel, 34132
A. Surzhykov
Physikalisch-Technische Bundesanstalt; Technische Universität Braunschweig
Email: w.hahn@skoltech.ru
Germany, Braunschweig, D-38116; Braunschweig, D-38106
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