Approximate relativistic corrections to atomic radial wave functions
Journal Article
·
· J. Opt. Soc. Am.; (United States)
The mass-velocity and Darwin terms of the one-electron-atom Pauli equation have been added to the Hartree-Fock differential equations by using the HX formula to calculate a local central field potential for use in these terms. Introduction of the quantum number j is avoided by omitting the spin-orbit term of the Pauli equation. The major relativistic effects, both direct and indirect, are thereby incorporated into the wave functions, while allowing retention of the commonly used nonrelativistic formulation of energy level calculations. The improvement afforded in calculated total binding energies, excitation energies, spin-orbit parameters, and expectation values of r/sub m/ is comparable with that provided by fully relativistic Dirac-Hartree-Fock calculations. (AIP)
- Research Organization:
- University of California, Los Alamos Scientific Laboratory, Los Alamos, New Mexico 87545
- OSTI ID:
- 7266849
- Journal Information:
- J. Opt. Soc. Am.; (United States), Journal Name: J. Opt. Soc. Am.; (United States) Vol. 66:10; ISSN JOSAA
- Country of Publication:
- United States
- Language:
- English
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