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dc.contributor.authorDobson, JF
dc.contributor.authorWang, J
dc.date.accessioned2017-05-03T11:12:58Z
dc.date.available2017-05-03T11:12:58Z
dc.date.issued2004
dc.date.modified2009-12-09T07:41:27Z
dc.identifier.issn2469-9950
dc.identifier.doi10.1103/PhysRevB.69.235104
dc.identifier.urihttp://hdl.handle.net/10072/5692
dc.description.abstractWe explore the successes and failures of the local-density approximation (LDA) in predicting the attractive force and energetics of attraction between two jellium metals. We model the metals by two very thin slabs, and follow the energetics at all separations D from the van der Waals (vdW) regime at large D through to metallic bonding as D0. We compare LDA results with calculations including exact exchange and microscopic nonlocal random-phase-approximation-type correlation energy: only these latter calculations include dispersion (van der Waals) forces correctly. We show how this error of LDA at large separations leads also to errors even at smaller separations outside the vdW regime.
dc.description.peerreviewedYes
dc.description.publicationstatusYes
dc.languageEnglish
dc.language.isoeng
dc.publisherAmerican Physical Society
dc.publisher.placeUSA
dc.publisher.urihttp://prola.aps.org/
dc.relation.ispartofpagefrom235104.1
dc.relation.ispartofpageto235104.9
dc.relation.ispartofjournalPhysical Review B: Condensed Matter and Materials Physics
dc.relation.ispartofvolume69
dc.subject.fieldofresearchPhysical Sciences
dc.subject.fieldofresearchChemical Sciences
dc.subject.fieldofresearchcode02
dc.subject.fieldofresearchcode03
dc.titleTesting the Local Density Approximation for energy-versus-separation curves of jellium slab pairs
dc.typeJournal article
dc.type.descriptionC1 - Articles
dc.type.codeC - Journal Articles
gro.facultyGriffith Sciences, School of Natural Sciences
gro.rights.copyright© 2004 American Physical Society. Reproduced in accordance with the copyright policy of the publisher. This journal is available online - use hypertext links.
gro.date.issued2004
gro.hasfulltextNo Full Text
gro.griffith.authorDobson, John F.


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