Publication
Title
Correlated analytic ground-state densities for two-electron atomic ions from Be to Ne
Author
Abstract
In earlier work, we demonstrated that the three-parameter correlated variational ground-state wave function of Chandrasekhar for two-electron atomic ions led to a closed analytic ground-state electron density rho(r). Here, we determine the three parameters by imposing (i) Kato's cusp condition at the nucleus, (ii) the correct large-r behavior of rho(r) involving the ionization potential, and (iii) the electrostatic potential created by rho(r) at the nucleus, as given by the 1/Z expansion of atomic theory. It is then found, from results obtained for Be through Ne, that the electron-electron coalescence condition is increasingly well accounted for as the atomic number Z increases. Finally, the one-body potential of density functional theory is extracted from rho(r). (C) 2007 Elsevier B.V. All rights reserved.
Language
English
Source (journal)
Physics letters: A. - Amsterdam, 1967, currens
Publication
Amsterdam : 2007
ISSN
0375-9601
Volume/pages
366:4-5(2007), p. 451-453
ISI
000248252100028
Full text (Publisher's DOI)
Full text (publisher's version - intranet only)
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 18.08.2017
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