Content area

Abstract

Translate

The Dirac-Coulomb equation for helium-like ions is solved using the iterative self-consistent field method, with Slater-type spinor orbitals as the basis. These orbitals inherently satisfy the kinetic-balance condition due to their coupling for both large- and small-components. The \(1/r_{12}\) Coulomb interaction is treated without constraints. Computations are carried out for total energies of atoms with nuclear charges up to \(Z \leq 80\) using both minimal and extended basis sets. Variationally optimal values for orbital parameters are determined through the Rayleigh-Ritz variational principle. No manifestations related to the Brown-Ravenhall disease are found.

Details

1009240
Subject
Orbitals;
Self consistent fields;
Rayleigh-Ritz method;
Iterative methods
Identifier / keyword
Atomic Physics
URL
http://arxiv.org/abs/2310.09111
Title
Solution of the Dirac-Coulomb equation using the Rayleigh-Ritz method. Results for He-like atoms
Author
Bağcı, A; Hoggan, P E
Publication title
arXiv.org; Ithaca
Publication year
2023
Publication date
Oct 13, 2023
Section
Physics (Other); Quantum Physics
Publisher
Cornell University Library, arXiv.org
Source
arXiv.org
Place of publication
Ithaca
Country of publication
United States
University/institution
Cornell University Library arXiv.org
Publication subject
Biology, Statistics, Physics, Mathematics, Engineering--Electrical Engineering, Computers--Computer Engineering, Business And Economics--Banking And Finance
e-ISSN
2331-8422
Source type
Working Paper
Language of publication
English
Document type
Working Paper
Publication history
 
 
Online publication date
2023-10-16
Milestone dates
2023-10-13 (Submission v1)
Publication history
 
 
   First posting date
16 Oct 2023
ProQuest document ID
2878321203
Document URL
https://www.proquest.com/working-papers/solution-dirac-coulomb-equation-using-rayleigh/docview/2878321203/se-2?accountid=208611
Full text outside of ProQuest
http://arxiv.org/abs/2310.09111
Copyright
© 2023. This work is published under http://arxiv.org/licenses/nonexclusive-distrib/1.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.
Last updated
2023-10-18
Database
ProQuest One Academic