Publication
Title
Exchange energy density definitions from the optimized exchange-force, exemplified for non-relativistic Ne- and Ar-like atomic ions in the limit of large nuclear charge
Author
Abstract
An alternative exchange energy density (eed) in DFT is first proposed, depending on the optimized exchange force (OEF). It is evaluated using a numerical form of OEF for the non-relativistic Ne-like atomic ion series for atomic number Z = 92. Comparison is made with the Dirac form of eed available analytically. Related results are also presented for Ar-like atomic ions.
Language
English
Source (journal)
Journal of mathematical chemistry. - Basel
Publication
Basel : 2011
ISSN
0259-9791
Volume/pages
49:2(2011), p. 335-341
ISI
000286469700003
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 16.05.2011
Last edited 08.06.2017
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