Matches in SemOpenAlex for { <https://semopenalex.org/work/W2000809676> ?p ?o ?g. }
Showing items 1 to 74 of
74
with 100 items per page.
- W2000809676 endingPage "13464" @default.
- W2000809676 startingPage "13459" @default.
- W2000809676 abstract "In density-functional calculations of total energies and forces, the fractional occupation numbers used for the discrete sampling of the Brillouin zone are often generated by ``finite-temperature'' broadening schemes with a finite broadening parameter $ensuremath{sigma}.$ It is shown that if the broadening parameters are chosen properly, the results obtained with different broadening schemes, e.g., with Fermi-Dirac broadening or with Gaussian broadening, will differ only by terms of the order ${ensuremath{sigma}}^{4}.$ As a further result, it is demonstrated that if the ground-state energy for $ensuremath{sigma}=0$ is approximated by $frac{1}{2}[F(ensuremath{sigma})+E(ensuremath{sigma})],$ where $E(ensuremath{sigma})$ and $F(ensuremath{sigma})$ denote the energy and a suitably defined ``free energy,'' the correction terms are of order ${ensuremath{sigma}}^{4}$ rather than of order ${ensuremath{sigma}}^{3}$ as is commonly assumed." @default.
- W2000809676 created "2016-06-24" @default.
- W2000809676 creator A5005244530 @default.
- W2000809676 creator A5060603786 @default.
- W2000809676 date "1998-11-15" @default.
- W2000809676 modified "2023-09-26" @default.
- W2000809676 title "Correction terms to the density-functional ground-state energy arising from occupation number broadening" @default.
- W2000809676 cites W1970188377 @default.
- W2000809676 cites W1972909908 @default.
- W2000809676 cites W2018963650 @default.
- W2000809676 cites W2030976617 @default.
- W2000809676 cites W2076059435 @default.
- W2000809676 cites W2080865570 @default.
- W2000809676 cites W2084668805 @default.
- W2000809676 cites W2230728100 @default.
- W2000809676 doi "https://doi.org/10.1103/physrevb.58.13459" @default.
- W2000809676 hasPublicationYear "1998" @default.
- W2000809676 type Work @default.
- W2000809676 sameAs 2000809676 @default.
- W2000809676 citedByCount "16" @default.
- W2000809676 countsByYear W20008096762020 @default.
- W2000809676 countsByYear W20008096762021 @default.
- W2000809676 crossrefType "journal-article" @default.
- W2000809676 hasAuthorship W2000809676A5005244530 @default.
- W2000809676 hasAuthorship W2000809676A5060603786 @default.
- W2000809676 hasConcept C10138342 @default.
- W2000809676 hasConcept C11413529 @default.
- W2000809676 hasConcept C121332964 @default.
- W2000809676 hasConcept C162324750 @default.
- W2000809676 hasConcept C16291881 @default.
- W2000809676 hasConcept C163716315 @default.
- W2000809676 hasConcept C182306322 @default.
- W2000809676 hasConcept C184779094 @default.
- W2000809676 hasConcept C186370098 @default.
- W2000809676 hasConcept C2778049214 @default.
- W2000809676 hasConcept C33923547 @default.
- W2000809676 hasConcept C48103436 @default.
- W2000809676 hasConcept C62520636 @default.
- W2000809676 hasConcept C69523127 @default.
- W2000809676 hasConceptScore W2000809676C10138342 @default.
- W2000809676 hasConceptScore W2000809676C11413529 @default.
- W2000809676 hasConceptScore W2000809676C121332964 @default.
- W2000809676 hasConceptScore W2000809676C162324750 @default.
- W2000809676 hasConceptScore W2000809676C16291881 @default.
- W2000809676 hasConceptScore W2000809676C163716315 @default.
- W2000809676 hasConceptScore W2000809676C182306322 @default.
- W2000809676 hasConceptScore W2000809676C184779094 @default.
- W2000809676 hasConceptScore W2000809676C186370098 @default.
- W2000809676 hasConceptScore W2000809676C2778049214 @default.
- W2000809676 hasConceptScore W2000809676C33923547 @default.
- W2000809676 hasConceptScore W2000809676C48103436 @default.
- W2000809676 hasConceptScore W2000809676C62520636 @default.
- W2000809676 hasConceptScore W2000809676C69523127 @default.
- W2000809676 hasIssue "20" @default.
- W2000809676 hasLocation W20008096761 @default.
- W2000809676 hasOpenAccess W2000809676 @default.
- W2000809676 hasPrimaryLocation W20008096761 @default.
- W2000809676 hasRelatedWork W138494529 @default.
- W2000809676 hasRelatedWork W1873334198 @default.
- W2000809676 hasRelatedWork W1968429225 @default.
- W2000809676 hasRelatedWork W1995333224 @default.
- W2000809676 hasRelatedWork W1997086491 @default.
- W2000809676 hasRelatedWork W2018452082 @default.
- W2000809676 hasRelatedWork W2080864321 @default.
- W2000809676 hasRelatedWork W2109607341 @default.
- W2000809676 hasRelatedWork W3100737694 @default.
- W2000809676 hasRelatedWork W3124733641 @default.
- W2000809676 hasVolume "58" @default.
- W2000809676 isParatext "false" @default.
- W2000809676 isRetracted "false" @default.
- W2000809676 magId "2000809676" @default.
- W2000809676 workType "article" @default.