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Uniform electron gases. I. Electrons on a ring

dc.contributor.authorLoos, Pierre-François
dc.contributor.authorGill, Peter M. W.
dc.date.accessioned2015-09-22T01:27:29Z
dc.date.available2015-09-22T01:27:29Z
dc.date.issued2013-04-30
dc.date.updated2015-12-11T08:04:01Z
dc.description.abstractWe introduce a new paradigm for one-dimensional uniform electron gases (UEGs). In this model, n electrons are confined to a ring and interact via a bare Coulomb operator. We use Rayleigh-Schrödinger perturbation theory to show that, in the high-density regime, the ground-state reduced (i.e., per electron) energy can be expanded as ε(rs,n)=ε0(n)r−2s+ε1(n)r−1s+ε2(n)+ε3(n)rs+⋯ , where r s is the Seitz radius. We use strong-coupling perturbation theory and show that, in the low-density regime, the reduced energy can be expanded as ε(rs,n)=η0(n)r−1s+η1(n)r−3/2s+η2(n)r−2s+⋯ . We report explicit expressions for ε0(n), ε1(n), ε2(n), ε3(n), η0(n), and η1(n) and derive the thermodynamic (large-n) limits of each of these. Finally, we perform numerical studies of UEGs with n = 2, 3, …, 10, using Hylleraas-type and quantum Monte Carlo methods, and combine these with the perturbative results to obtain a picture of the behavior of the new model over the full range of n and r s values.
dc.description.sponsorshipP.M.W.G. thanks the Australian Research Council (Grant Nos. DP0984806, DP1094170, and DP120104740) for funding. P.F.L. thanks the Australian Research Council for a Discovery Early Career Researcher Award (Grant No. DE130101441).en_AU
dc.identifier.issn0021-9606en_AU
dc.identifier.urihttp://hdl.handle.net/1885/15622
dc.publisherAmerican Institute of Physics
dc.relationhttp://purl.org/au-research/grants/arc/DP0984806
dc.relationhttp://purl.org/au-research/grants/arc/DP1094170
dc.relationhttp://purl.org/au-research/grants/arc/DP120104740
dc.relationhttp://purl.org/au-research/grants/arc/DE130101441
dc.rightshttp://www.sherpa.ac.uk/romeo/issn/1089-7690..."Publishers version/PDF may be used on author's personal website, institutional website or institutional repository" from SHERPA/RoMEO site (as at 22/09/15). Copyright 2013 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in Journal of Chemical Physics and may be found at https://doi.org/10.1063/1.4802589
dc.sourceJournal of Chemical Physics
dc.subjectgases
dc.subjectmonte carlo method
dc.subjectelectrons
dc.subjectquantum theory
dc.titleUniform electron gases. I. Electrons on a ring
dc.typeJournal article
dcterms.dateAccepted2013-04-08
local.bibliographicCitation.issue16en_AU
local.bibliographicCitation.lastpage9
local.bibliographicCitation.startpage164124en_AU
local.contributor.affiliationLoos, Pierre-Francois, College of Physical and Mathematical Sciences, CPMS Research School of Chemistry, RSC General, The Australian National Universityen_AU
local.contributor.affiliationGill, Peter, College of Physical and Mathematical Sciences, CPMS Research School of Chemistry, RSC General, The Australian National Universityen_AU
local.contributor.authoruidu4622940en_AU
local.description.notesImported from ARIESen_AU
local.identifier.absfor030701en_AU
local.identifier.absseo970103en_AU
local.identifier.ariespublicationf5625xPUB3372en_AU
local.identifier.citationvolume138en_AU
local.identifier.doi10.1063/1.4802589en_AU
local.identifier.essn1089-7690en_AU
local.identifier.scopusID2-s2.0-84877265903
local.identifier.thomsonID000318550800028
local.publisher.urlhttps://www.aip.org/en_AU
local.type.statusPublished Versionen_AU

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