Title Force-$\partial V_{XC}/\partial r$ associated with the exchange-correlation potential $V_{XC}(r)$ in the neutral Ne atom Force-$\partial V_{XC}/\partial r$ associated with the exchange-correlation potential $V_{XC}(r)$ in the neutral Ne atom Author Howard, I.A. Sen, K.D. Geerlings, P. March, N.H. Faculty/Department Faculty of Sciences. Physics Publication type article Publication 2005 Muenchen , 2005 Subject Physics Source (journal) Veroeffentlichungen der Kommission zur Erschliessung von Keilschrifttexten: Serie C / Bayerische Akademie der Wissenschaften. Philosophisch-Historische Klasse. Kommission zur Erschliessung von Keilschrifttexten. - Muenchen Volume/pages 38(2005) :11 , p. 1705-1717 ISSN 0953-4075 ISI 000230631900014 Carrier E Target language English (eng) Full text (Publishers DOI) Affiliation University of Antwerp Abstract Following an electrostatic interpretation of the force F-xc = -partial derivative V-xc/partial derivative r associated with the exchange-correlation potential V-xc(r), we present both analytical and numerical results for F-xc(r) in the Ne atom..The basic input is an existing quantum Monte Carlo (QMC) calculation of the ground-state electron density rho (r) in this atom. The analytic form of a partial derivative(xc)/partial derivative r is in terms of the number of electrons Q(r) enclosed in a sphere of radius r centred on the nucleus, plus two phases needed to characterize the radial wavefunctions of density functional theory. Eigenvalue equations are presented for these phases, and used numerically. A brief discussion is added on the result of replacing the QMC ground-state density by its Hartree-Fock counterpart. E-info https://repository.uantwerpen.be/docman/iruaauth/e6534e/bf16204.pdf http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000230631900014&DestLinkType=RelatedRecords&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848 http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000230631900014&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848 http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000230631900014&DestLinkType=CitingArticles&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848 Handle