Title
Correlated analytic ground-state densities for two-electron atomic ions from Be to Ne Correlated analytic ground-state densities for two-electron atomic ions from Be to Ne
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
Amsterdam ,
Subject
Physics
Source (journal)
Physics letters: A. - Amsterdam, 1967, currens
Volume/pages
366(2007) :4-5 , p. 451-453
ISSN
0375-9601
ISI
000248252100028
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
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.
E-info
https://repository.uantwerpen.be/docman/iruaauth/b1aa1d/df55763.pdf
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000248252100028&DestLinkType=RelatedRecords&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000248252100028&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000248252100028&DestLinkType=CitingArticles&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848
Handle