FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2029016329> ?p ?o ?g. }

• W2029016329 abstract "Abstract We present a new set of atomic partition functions (weight scheme) for density functional quadratures that yields similar accuracy but is substantially faster than the widely used algorithm of Becke. Employing efficient screening techniques, we have achieved near-linear scaling with molecular size in both weight schemes. Furthermore, using microbatches of grid points that have similar sets of significant basis functions, we have also achieved near-linear scaling at modest molecular sizes in the evaluation of the density (and other quantities of interest). We demonstrate the near-linear scaling properties of our numerical integration method in benchmark calculations of graphitic sheets and diamond chunks that contain up to 400 atoms and 3500 contracted Gaussians." @default.
• W2029016329 created "2016-06-24" @default.
• W2029016329 creator A5009545022 @default.
• W2029016329 creator A5016283866 @default.
• W2029016329 creator A5025938207 @default.
• W2029016329 date "1996-07-01" @default.
• W2029016329 modified "2023-10-10" @default.
• W2029016329 title "Achieving linear scaling in exchange-correlation density functional quadratures" @default.
• W2029016329 cites W1963683620 @default.
• W2029016329 cites W1965752441 @default.
• W2029016329 cites W1967300183 @default.
• W2029016329 cites W1979949205 @default.
• W2029016329 cites W1985583109 @default.
• W2029016329 cites W1999514046 @default.
• W2029016329 cites W2002048114 @default.
• W2029016329 cites W2006806329 @default.
• W2029016329 cites W2016851069 @default.
• W2029016329 cites W2045304941 @default.
• W2029016329 cites W2082993877 @default.
• W2029016329 cites W2085676870 @default.
• W2029016329 cites W2086315197 @default.
• W2029016329 cites W2125132504 @default.
• W2029016329 cites W2230728100 @default.
• W2029016329 doi "https://doi.org/10.1016/0009-2614(96)00600-8" @default.
• W2029016329 hasPublicationYear "1996" @default.
• W2029016329 type Work @default.
• W2029016329 sameAs 2029016329 @default.
• W2029016329 citedByCount "231" @default.
• W2029016329 countsByYear W20290163292012 @default.
• W2029016329 countsByYear W20290163292013 @default.
• W2029016329 countsByYear W20290163292014 @default.
• W2029016329 countsByYear W20290163292015 @default.
• W2029016329 countsByYear W20290163292016 @default.
• W2029016329 countsByYear W20290163292017 @default.
• W2029016329 countsByYear W20290163292018 @default.
• W2029016329 countsByYear W20290163292019 @default.
• W2029016329 countsByYear W20290163292020 @default.
• W2029016329 countsByYear W20290163292021 @default.
• W2029016329 countsByYear W20290163292022 @default.
• W2029016329 countsByYear W20290163292023 @default.
• W2029016329 crossrefType "journal-article" @default.
• W2029016329 hasAuthorship W2029016329A5009545022 @default.
• W2029016329 hasAuthorship W2029016329A5016283866 @default.
• W2029016329 hasAuthorship W2029016329A5025938207 @default.
• W2029016329 hasConcept C11413529 @default.
• W2029016329 hasConcept C114614502 @default.
• W2029016329 hasConcept C121332964 @default.
• W2029016329 hasConcept C121864883 @default.
• W2029016329 hasConcept C13280743 @default.
• W2029016329 hasConcept C147597530 @default.
• W2029016329 hasConcept C152365726 @default.
• W2029016329 hasConcept C159985019 @default.
• W2029016329 hasConcept C170122806 @default.
• W2029016329 hasConcept C177264268 @default.
• W2029016329 hasConcept C185592680 @default.
• W2029016329 hasConcept C185798385 @default.
• W2029016329 hasConcept C192562407 @default.
• W2029016329 hasConcept C199360897 @default.
• W2029016329 hasConcept C205649164 @default.
• W2029016329 hasConcept C2524010 @default.
• W2029016329 hasConcept C2776921476 @default.
• W2029016329 hasConcept C30475298 @default.
• W2029016329 hasConcept C33923547 @default.
• W2029016329 hasConcept C41008148 @default.
• W2029016329 hasConcept C42812 @default.
• W2029016329 hasConcept C65956243 @default.
• W2029016329 hasConcept C99844830 @default.
• W2029016329 hasConceptScore W2029016329C11413529 @default.
• W2029016329 hasConceptScore W2029016329C114614502 @default.
• W2029016329 hasConceptScore W2029016329C121332964 @default.
• W2029016329 hasConceptScore W2029016329C121864883 @default.
• W2029016329 hasConceptScore W2029016329C13280743 @default.
• W2029016329 hasConceptScore W2029016329C147597530 @default.
• W2029016329 hasConceptScore W2029016329C152365726 @default.
• W2029016329 hasConceptScore W2029016329C159985019 @default.
• W2029016329 hasConceptScore W2029016329C170122806 @default.
• W2029016329 hasConceptScore W2029016329C177264268 @default.
• W2029016329 hasConceptScore W2029016329C185592680 @default.
• W2029016329 hasConceptScore W2029016329C185798385 @default.
• W2029016329 hasConceptScore W2029016329C192562407 @default.
• W2029016329 hasConceptScore W2029016329C199360897 @default.
• W2029016329 hasConceptScore W2029016329C205649164 @default.
• W2029016329 hasConceptScore W2029016329C2524010 @default.
• W2029016329 hasConceptScore W2029016329C2776921476 @default.
• W2029016329 hasConceptScore W2029016329C30475298 @default.
• W2029016329 hasConceptScore W2029016329C33923547 @default.
• W2029016329 hasConceptScore W2029016329C41008148 @default.
• W2029016329 hasConceptScore W2029016329C42812 @default.
• W2029016329 hasConceptScore W2029016329C65956243 @default.
• W2029016329 hasConceptScore W2029016329C99844830 @default.
• W2029016329 hasLocation W20290163291 @default.
• W2029016329 hasOpenAccess W2029016329 @default.
• W2029016329 hasPrimaryLocation W20290163291 @default.
• W2029016329 hasRelatedWork W1963683620 @default.
• W2029016329 hasRelatedWork W1966406013 @default.
• W2029016329 hasRelatedWork W1981368803 @default.
• W2029016329 hasRelatedWork W1985583109 @default.
• W2029016329 hasRelatedWork W1987874655 @default.
• W2029016329 hasRelatedWork W2002048114 @default.
• W2029016329 hasRelatedWork W2010170813 @default.

• next