Publication
Title
X-ray scattering factor of the inhomogeneous electron liquid in the ground state of the Ne atom: contribution of the exchange-correlation potential
Author
Abstract
We have recently set out an approach to the X-ray scattering from 10-electron central field systems such as the almost spherical molecular species CH4 and NH , in terms of DFT. Here, we take the united atom Ne of CH4 as our focal point, and exploit the fact that the exchange-correlation potential Vxc(r) is known from the work of Zhao et al. (Q. Zhao, R.C. Morrison and R.G. Parr, Phys. Rev. A50, 2138 (1994)). Thus, we can calculate the explicit and sizeable contribution that the exchange-correlation force -ÝVxc/Ýr derived from this exchange-correlation potential makes to the measured X-ray scattering factor of Ne.
Language
English
Source (journal)
Physics and chemistry of liquids. - London
Publication
London : 2008
ISSN
0031-9104
Volume/pages
46:6(2008), p. 676-681
ISI
000261694900009
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 19.01.2009
Last edited 07.11.2017
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