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Phys. Rev. A 76, 012507 (2007) [6 pages]

Adjustment of the quasirelativistic equations for p electrons

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P. Bogdanovich* and O. Rancova
Institute of Theoretical Physics and Astronomy of Vilnius University, A. Goštauto 12, LT-01108 Vilnius, Lithuania

Received 18 May 2007; published 18 July 2007

A development of the techniques for solving the quasirelativistic Hartree-Fock equations for quasirelativistic atomic calculations published earlier [ Phys. Rev. A 74 052501 (2006)] is presented. Trial calculations using these techniques revealed that the one-electron characteristics and spin-orbit splitting are less precise in the case of p electrons. To overcome this problem, a different method of averaging the spin-orbit interaction within the quasirelativistic Hartree-Fock equation is proposed for p electrons. The specific account of the contact interaction in the case of p electrons is discussed. The technique for calculating the spin-orbit interaction constant while using the quasirelativistic radial orbitals is presented. Since the pecularities appear on the level of one-electron interactions, only hydrogenlike ions are investigated. Data revealing how the methods under discussion influence the results obtained are presented.

© 2007 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevA.76.012507
DOI:
10.1103/PhysRevA.76.012507
PACS:
31.30.Jv, 31.15.Ne, 31.15.Ar, 21.10.Ft

*pavlas@itpa.lt