Por favor, use este identificador para citar o enlazar a este item:
http://hdl.handle.net/10261/50868
COMPARTIR / EXPORTAR:
SHARE CORE BASE | |
Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL | DATACITE | |
Campo DC | Valor | Lengua/Idioma |
---|---|---|
dc.contributor.author | Stella, Lorenzo | - |
dc.contributor.author | Attaccalite, Claudio | - |
dc.contributor.author | Sorella, Sandro | - |
dc.contributor.author | Rubio, Angel | - |
dc.date.accessioned | 2012-06-05T12:49:43Z | - |
dc.date.available | 2012-06-05T12:49:43Z | - |
dc.date.issued | 2011 | - |
dc.identifier | doi: 10.1103/PhysRevB.84.245117 | - |
dc.identifier | issn: 1098-0121 | - |
dc.identifier.citation | Physical Review B 84(24): 245117 (2011) | - |
dc.identifier.uri | http://hdl.handle.net/10261/50868 | - |
dc.description.abstract | In this paper, we report a fully ab initio variational Monte Carlo study of the linear and periodic chain of hydrogen atoms, a prototype system providing the simplest example of strong electronic correlation in low dimensions. In particular, we prove that numerical accuracy comparable to that of benchmark density-matrix renormalization-group calculations can be achieved by using a highly correlated Jastrow-antisymmetrized geminal power variational wave function. Furthermore, by using the so-called “modern theory of polarization” and by studying the spin-spin and dimer-dimer correlations functions, we have characterized in detail the crossover between the weakly and strongly correlated regimes of this atomic chain. Our results show that variational Monte Carlo provides an accurate and flexible alternative to highly correlated methods of quantum chemistry which, at variance with these methods, can be also applied to a strongly correlated solid in low dimensions close to a crossover or a phase transition. | - |
dc.description.sponsorship | This work has been performed under the HPC-EUROPA2 project (Project No. HPC08TH6KD) with the support of the European Commission - Capacities Area - Research Infrastructures and using HPC resources from GENCI-IDRIS (Project No. 100063). We acknowledge also financial support from the Spanish MEC (Grant No. FIS2011-65702-C02-01), ACI-Promociona (Grant No. ACI2009-1036), Grupos Consolidados UPV/EHU del Gobierno Vasco (Grant No. IT-319-07), and the European Research Council Advanced GrantDYNamo (ERC-2010-AdG Proposal No. 267374). | - |
dc.language.iso | eng | - |
dc.publisher | American Physical Society | - |
dc.relation | info:eu-repo/grantAgreement/EC/FP7/267374 | - |
dc.rights | openAccess | - |
dc.title | Strong electronic correlation in the hydrogen chain: A variational Monte Carlo study | - |
dc.type | artículo | - |
dc.identifier.doi | 10.1103/PhysRevB.84.245117 | - |
dc.relation.publisherversion | http://dx.doi.org/10.1103/PhysRevB.84.245117 | - |
dc.date.updated | 2012-06-05T12:49:43Z | - |
dc.description.version | Peer Reviewed | - |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | es_ES |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.fulltext | With Fulltext | - |
item.cerifentitytype | Publications | - |
item.openairetype | artículo | - |
item.languageiso639-1 | en | - |
item.grantfulltext | open | - |
Aparece en las colecciones: | (CFM) Artículos |
Ficheros en este ítem:
Fichero | Descripción | Tamaño | Formato | |
---|---|---|---|---|
Strong electronic.pdf | 299,1 kB | Unknown | Visualizar/Abrir |
CORE Recommender
SCOPUSTM
Citations
71
checked on 31-mar-2024
WEB OF SCIENCETM
Citations
71
checked on 23-feb-2024
Page view(s)
326
checked on 17-abr-2024
Download(s)
429
checked on 17-abr-2024
Google ScholarTM
Check
Altmetric
Altmetric
NOTA: Los ítems de Digital.CSIC están protegidos por copyright, con todos los derechos reservados, a menos que se indique lo contrario.