Correlation energies of the high-density spin-polarized electron gas to meV accuracy

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cam.issuedOnline2018-10-08
dc.contributor.authorRuggeri, Michele
dc.contributor.authorRios, Pablo Lopez
dc.contributor.authorAlavi, Ali
dc.contributor.orcidAlavi, Ali [0000-0002-0654-9489]
dc.date.accessioned2018-12-07T00:30:18Z
dc.date.available2018-12-07T00:30:18Z
dc.date.issued2018
dc.description.abstractWe present a combination of quantum Monte Carlo methods and a finite-size extrapolation framework with which we calculate the thermodynamic limit of the exact correlation energy of the polarized electron gas at high densities to meV accuracy, −40.44(5) and −31.70(4) mHa at rs=0.5 and 1, respectively. The fixed-node error is characterized and found to exceed 1 mHa, and we show that the magnitude of the correlation energy of the polarized electron gas is underestimated by up to 6 meV by the Perdew-Wang parametrization, for which we suggest improvements.
dc.identifier.doi10.17863/CAM.33684
dc.identifier.eissn2469-9969
dc.identifier.issn2469-9950
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/286370
dc.publisherAmerican Physical Society (APS)
dc.publisher.urlhttp://dx.doi.org/10.1103/physrevb.98.161105
dc.subject5106 Nuclear and Plasma Physics
dc.subject51 Physical Sciences
dc.titleCorrelation energies of the high-density spin-polarized electron gas to meV accuracy
dc.typeArticle
prism.issueIdentifier16
prism.numberARTN 161105
prism.publicationDate2018
prism.publicationNamePHYSICAL REVIEW B
prism.volume98
rioxxterms.licenseref.startdate2018-10-08
rioxxterms.licenseref.urihttp://www.rioxx.net/licenses/all-rights-reserved
rioxxterms.typeJournal Article/Review
rioxxterms.versionAM
rioxxterms.versionofrecord10.1103/PhysRevB.98.161105
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