Electron localization from the combined exact diagonalization—ab initio approach in one dimension

2002
journal article
article
dc.abstract.enExact ground state properties are presented by combining the exact diagonalization of the Hamiltonian (including all hopping integrals and all two-site interactions) with ab initio optimization of the single-particle (Wannier) functions. Such a procedure is carried out for linear systems up to N=12 atoms. We study the system evolution as a function of lattice parameters. Electrons are essentially localized for the interatomic distance R > 2.2 Å. The statistical distribution evolves from the Fermi-liquid limit (at R $\sim$ 1 – 2 Å) to continuous momentum distribution for R > 2.2 Å. The single-particle correlation functions are also discussed.
dc.affiliationWydział Fizyki, Astronomii i Informatyki Stosowanej : Instytut Fizyki Teoretycznej
dc.affiliationWydział Fizyki, Astronomii i Informatyki Stosowanej : Instytut Fizyki im. Mariana Smoluchowskiego
dc.contributor.authorRycerz, Adam - 131745
dc.contributor.authorSpałek, Józef - 132018
dc.contributor.authorPodsiadły, Robert - 101520
dc.date.accessioned2025-07-16T18:20:21Z
dc.date.available2025-07-16T18:20:21Z
dc.date.createdat2025-05-20T17:35:48Zen
dc.date.issued2002
dc.description.number4
dc.description.physical338-340
dc.description.volume318
dc.identifier.doi10.1016/S0921-4526(02)00801-3
dc.identifier.issn0921-4526
dc.identifier.urihttps://ruj.uj.edu.pl/handle/item/557507
dc.languageeng
dc.language.containereng
dc.rightsDodaję tylko opis bibliograficzny
dc.rights.licenceBez licencji otwartego dostępu
dc.subject.enexact diagonalization
dc.subject.enab initio approach
dc.subject.enMott localization
dc.subtypeArticle
dc.titleElectron localization from the combined exact diagonalization—ab initio approach in one dimension
dc.title.journalPhysica B: Condensed Matter
dc.typeJournalArticle
dspace.entity.typePublicationen
dc.abstract.en
Exact ground state properties are presented by combining the exact diagonalization of the Hamiltonian (including all hopping integrals and all two-site interactions) with ab initio optimization of the single-particle (Wannier) functions. Such a procedure is carried out for linear systems up to N=12 atoms. We study the system evolution as a function of lattice parameters. Electrons are essentially localized for the interatomic distance R > 2.2 Å. The statistical distribution evolves from the Fermi-liquid limit (at R $\sim$ 1 – 2 Å) to continuous momentum distribution for R > 2.2 Å. The single-particle correlation functions are also discussed.
dc.affiliation
Wydział Fizyki, Astronomii i Informatyki Stosowanej : Instytut Fizyki Teoretycznej
dc.affiliation
Wydział Fizyki, Astronomii i Informatyki Stosowanej : Instytut Fizyki im. Mariana Smoluchowskiego
dc.contributor.author
Rycerz, Adam - 131745
dc.contributor.author
Spałek, Józef - 132018
dc.contributor.author
Podsiadły, Robert - 101520
dc.date.accessioned
2025-07-16T18:20:21Z
dc.date.available
2025-07-16T18:20:21Z
dc.date.createdaten
2025-05-20T17:35:48Z
dc.date.issued
2002
dc.description.number
4
dc.description.physical
338-340
dc.description.volume
318
dc.identifier.doi
10.1016/S0921-4526(02)00801-3
dc.identifier.issn
0921-4526
dc.identifier.uri
https://ruj.uj.edu.pl/handle/item/557507
dc.language
eng
dc.language.container
eng
dc.rights
Dodaję tylko opis bibliograficzny
dc.rights.licence
Bez licencji otwartego dostępu
dc.subject.en
exact diagonalization
dc.subject.en
ab initio approach
dc.subject.en
Mott localization
dc.subtype
Article
dc.title
Electron localization from the combined exact diagonalization—ab initio approach in one dimension
dc.title.journal
Physica B: Condensed Matter
dc.type
JournalArticle
dspace.entity.typeen
Publication
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