Towards the Solution of the Many-Electron Problem in Real Materials: Equation of State of the Hydrogen Chain with State-of-the-Art Many-Body Methods

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dc.citation.articleNumber31059en_US
dc.citation.issueNumber3en_US
dc.citation.journalTitlePhysical Review Xen_US
dc.citation.volumeNumber7en_US
dc.contributor.authorMotta, Marioen_US
dc.contributor.authorCeperley, David M.en_US
dc.contributor.authorChan, Garnet Kin-Licen_US
dc.contributor.authorGomez, John A.en_US
dc.contributor.authorGull, Emanuelen_US
dc.contributor.authorGuo, Shengen_US
dc.contributor.authorJiménez-Hoyos, Carlos A.en_US
dc.contributor.authorLan, Tran Nguyenen_US
dc.contributor.authorLi, Jiaen_US
dc.contributor.authorMa, Fengjieen_US
dc.contributor.authorMillis, Andrew J.en_US
dc.contributor.authorProkof’ev, Nikolay V.en_US
dc.contributor.authorRay, Ushnishen_US
dc.contributor.authorScuseria, Gustavo E.en_US
dc.contributor.authorSorella, Sandroen_US
dc.contributor.authorStoudenmire, Edwin M.en_US
dc.contributor.authorSun, Qimingen_US
dc.contributor.authorTupitsyn, Igor S.en_US
dc.contributor.authorWhite, Steven R.en_US
dc.contributor.authorZgid, Dominikaen_US
dc.contributor.authorZhang, Shiweien_US
dc.date.accessioned2017-10-19T17:11:53Zen_US
dc.date.available2017-10-19T17:11:53Zen_US
dc.date.issued2017en_US
dc.description.abstractWe present numerical results for the equation of state of an infinite chain of hydrogen atoms. A variety of modern many-body methods are employed, with exhaustive cross-checks and validation. Approaches for reaching the continuous space limit and the thermodynamic limit are investigated, proposed, and tested. The detailed comparisons provide a benchmark for assessing the current state of the art in many-body computation, and for the development of new methods. The ground-state energy per atom in the linear chain is accurately determined versus bond length, with a confidence bound given on all uncertainties.en_US
dc.identifier.citationMotta, Mario, Ceperley, David M., Chan, Garnet Kin-Lic, et al.. "Towards the Solution of the Many-Electron Problem in Real Materials: Equation of State of the Hydrogen Chain with State-of-the-Art Many-Body Methods." <i>Physical Review X,</i> 7, no. 3 (2017) American Physical Society: https://doi.org/10.1103/PhysRevX.7.031059.en_US
dc.identifier.digitalTowards_Solution_Many-Electron_Problemen_US
dc.identifier.doihttps://doi.org/10.1103/PhysRevX.7.031059en_US
dc.identifier.urihttps://hdl.handle.net/1911/97803en_US
dc.language.isoengen_US
dc.publisherAmerican Physical Societyen_US
dc.rightsPublished by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article’s title, journal citation, and DOI.en_US
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/en_US
dc.titleTowards the Solution of the Many-Electron Problem in Real Materials: Equation of State of the Hydrogen Chain with State-of-the-Art Many-Body Methodsen_US
dc.typeJournal articleen_US
dc.type.dcmiTexten_US
dc.type.publicationpublisher versionen_US
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