Show simple item record

dc.contributor.authorMotta, Mario
Ceperley, David M.
Chan, Garnet Kin-Lic
Gomez, John A.
Gull, Emanuel
Guo, Sheng
Jiménez-Hoyos, Carlos A.
Lan, Tran Nguyen
Li, Jia
Ma, Fengjie
Millis, Andrew J.
Prokof’ev, Nikolay V.
Ray, Ushnish
Scuseria, Gustavo E.
Sorella, Sandro
Stoudenmire, Edwin M.
Sun, Qiming
Tupitsyn, Igor S.
White, Steven R.
Zgid, Dominika
Zhang, Shiwei
dc.date.accessioned 2017-10-19T17:11:53Z
dc.date.available 2017-10-19T17:11:53Z
dc.date.issued 2017
dc.identifier.citation Motta, 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." Physical Review X, 7, no. 3 (2017) American Physical Society: https://doi.org/10.1103/PhysRevX.7.031059.
dc.identifier.urihttps://hdl.handle.net/1911/97803
dc.description.abstract We 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.
dc.language.iso eng
dc.publisher American Physical Society
dc.rights Published 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.
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.title 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
dc.type Journal article
dc.citation.journalTitle Physical Review X
dc.citation.volumeNumber 7
dc.citation.issueNumber 3
dc.identifier.digital Towards_Solution_Many-Electron_Problem
dc.type.dcmi Text
dc.identifier.doihttps://doi.org/10.1103/PhysRevX.7.031059
dc.type.publication publisher version
dc.citation.articleNumber 031059


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record

Published 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.
Except where otherwise noted, this item's license is described as Published 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.