Publication
Title
The importance of fully quantitative non-local treatments of exchange energy in Density Functional Theory of atoms, molecules and clusters, characterised by strongly inhomogeneous electron liquids
Author
Abstract
After a brief summary of some recent work on non-local approximations to the exchange energy and potential in density functional theory, a table is presented for atoms from Be to Ar, with an even number of electrons, having large electron density gradients, which highlights the importance of exchange. Until non-local exchange energy is truly quantitative, refinements of correlation energy may be submerged through 'noisy' exchange.
Language
English
Source (journal)
Physics and chemistry of liquids. - London
Publication
London : 2009
ISSN
0031-9104
Volume/pages
47:2(2009), p. 225-228
ISI
000265300500011
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 22.06.2009
Last edited 13.07.2017
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