Publication
Title
Relativistic theory of an inhomogeneous electron liquid in relation to atomic binding energies
Author
Abstract
Experimentally determined ionization potentials in the literature are used to plot the binding energies for neutral atoms as a function of atomic number Z for Z = 2-30, 32, 36, 42. From this pretty smooth plot we have subtracted non-relativistic Hartree-Fock binding energies, using both available numerical values and the almost analytical result, based on the non-relativistic Thomas-Fermi statistical theory valid for large Z. The difference is still relatively smooth. For Me, with Z = 42, the difference is about 70 atomic units. This difference is then analyzed using First relativistic theory of an inhomogeneous electron liquid and then the Local Density Approximation (LDA), and for Mo their results yield approximately 88 and 67 atomic units respectively. We infer that a highly accurate relativistic many-electron theory will therefore be needed before reliable electron correlation energies can be extracted from the experimental binding energies for atoms heavier than Argon. This fact has prompted us to use available LDA calculations to confront three theoretical predictions of the Z dependence of non-relativistic electron correlation energies at large Z.
Language
English
Source (journal)
Physics and chemistry of liquids. - London
Publication
London : 2004
ISSN
0031-9104
Volume/pages
42:6(2004), p. 589-595
ISI
000226381900006
Full text (Publisher's DOI)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 03.01.2013
Last edited 22.08.2017
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