Uniform electron gases. I. Electrons on a ring
| dc.contributor.author | Loos, Pierre-François | |
| dc.contributor.author | Gill, Peter M. W. | |
| dc.date.accessioned | 2015-09-22T01:27:29Z | |
| dc.date.available | 2015-09-22T01:27:29Z | |
| dc.date.issued | 2013-04-30 | |
| dc.date.updated | 2015-12-11T08:04:01Z | |
| dc.description.abstract | We 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.sponsorship | P.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.issn | 0021-9606 | en_AU |
| dc.identifier.uri | http://hdl.handle.net/1885/15622 | |
| dc.publisher | American Institute of Physics | |
| dc.relation | http://purl.org/au-research/grants/arc/DP0984806 | |
| dc.relation | http://purl.org/au-research/grants/arc/DP1094170 | |
| dc.relation | http://purl.org/au-research/grants/arc/DP120104740 | |
| dc.relation | http://purl.org/au-research/grants/arc/DE130101441 | |
| dc.rights | http://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.source | Journal of Chemical Physics | |
| dc.subject | gases | |
| dc.subject | monte carlo method | |
| dc.subject | electrons | |
| dc.subject | quantum theory | |
| dc.title | Uniform electron gases. I. Electrons on a ring | |
| dc.type | Journal article | |
| dcterms.dateAccepted | 2013-04-08 | |
| local.bibliographicCitation.issue | 16 | en_AU |
| local.bibliographicCitation.lastpage | 9 | |
| local.bibliographicCitation.startpage | 164124 | en_AU |
| local.contributor.affiliation | Loos, Pierre-Francois, College of Physical and Mathematical Sciences, CPMS Research School of Chemistry, RSC General, The Australian National University | en_AU |
| local.contributor.affiliation | Gill, Peter, College of Physical and Mathematical Sciences, CPMS Research School of Chemistry, RSC General, The Australian National University | en_AU |
| local.contributor.authoruid | u4622940 | en_AU |
| local.description.notes | Imported from ARIES | en_AU |
| local.identifier.absfor | 030701 | en_AU |
| local.identifier.absseo | 970103 | en_AU |
| local.identifier.ariespublication | f5625xPUB3372 | en_AU |
| local.identifier.citationvolume | 138 | en_AU |
| local.identifier.doi | 10.1063/1.4802589 | en_AU |
| local.identifier.essn | 1089-7690 | en_AU |
| local.identifier.scopusID | 2-s2.0-84877265903 | |
| local.identifier.thomsonID | 000318550800028 | |
| local.publisher.url | https://www.aip.org/ | en_AU |
| local.type.status | Published Version | en_AU |
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