FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2015438802> ?p ?o ?g. }

• W2015438802 endingPage "442" @default.
• W2015438802 startingPage "419" @default.
• W2015438802 abstract "The new methods implemented within the DeFT density functional software package are outlined. Where appropriate, they are benchmarked against the conventional methods, which are prohibitively expensive for large systems due to their poor scaling with system size. Benchmark calculations on extended glycine polypeptides clearly demonstrate that linear scaling has been achieved for these first principles electronic structure calculations. Within the DeFT software package, a divide-and-conquer approach is instrumental in attaining this goal. The errors introduced by our divide-and-conquer approach are quantified and shown to be insignificant when compared to the inherent error in even the most accurate density functionals presently available. Calculations on molecules within the G2 dataset highlight the overall accuracy of the exchange-correlation functionals, orbital basis sets, auxiliary density fitting basis sets, and grids used within DeFT." @default.
• W2015438802 created "2016-06-24" @default.
• W2015438802 creator A5026415872 @default.
• W2015438802 creator A5077883104 @default.
• W2015438802 date "2004-09-01" @default.
• W2015438802 modified "2023-10-18" @default.
• W2015438802 title "LINEAR SCALING FOR DENSITY FUNCTIONAL CALCULATIONS ON LARGE MOLECULES WITH THE DEFT SOFTWARE PACKAGE" @default.
• W2015438802 cites W1708984004 @default.
• W2015438802 cites W1964357583 @default.
• W2015438802 cites W1965798822 @default.
• W2015438802 cites W1969233413 @default.
• W2015438802 cites W1972132066 @default.
• W2015438802 cites W1975244747 @default.
• W2015438802 cites W1983348565 @default.
• W2015438802 cites W1983928914 @default.
• W2015438802 cites W1988241665 @default.
• W2015438802 cites W1992702715 @default.
• W2015438802 cites W1998613997 @default.
• W2015438802 cites W2002048114 @default.
• W2015438802 cites W2002401010 @default.
• W2015438802 cites W2008558900 @default.
• W2015438802 cites W2010170813 @default.
• W2015438802 cites W2016800344 @default.
• W2015438802 cites W2020428152 @default.
• W2015438802 cites W2027672700 @default.
• W2015438802 cites W2029016329 @default.
• W2015438802 cites W2029228724 @default.
• W2015438802 cites W2035824740 @default.
• W2015438802 cites W2038533471 @default.
• W2015438802 cites W2039035988 @default.
• W2015438802 cites W2045316405 @default.
• W2015438802 cites W2047644723 @default.
• W2015438802 cites W2049079467 @default.
• W2015438802 cites W2055316829 @default.
• W2015438802 cites W2068469443 @default.
• W2015438802 cites W2070590254 @default.
• W2015438802 cites W2070909825 @default.
• W2015438802 cites W2074204869 @default.
• W2015438802 cites W2076656428 @default.
• W2015438802 cites W2082258620 @default.
• W2015438802 cites W2082719796 @default.
• W2015438802 cites W2082993877 @default.
• W2015438802 cites W2083206954 @default.
• W2015438802 cites W2086957099 @default.
• W2015438802 cites W2088023640 @default.
• W2015438802 cites W2089733287 @default.
• W2015438802 cites W2090018656 @default.
• W2015438802 cites W2143981217 @default.
• W2015438802 cites W2147303166 @default.
• W2015438802 cites W2163050572 @default.
• W2015438802 doi "https://doi.org/10.1142/s0219633604001148" @default.
• W2015438802 hasPublicationYear "2004" @default.
• W2015438802 type Work @default.
• W2015438802 sameAs 2015438802 @default.
• W2015438802 citedByCount "16" @default.
• W2015438802 countsByYear W20154388022012 @default.
• W2015438802 countsByYear W20154388022014 @default.
• W2015438802 countsByYear W20154388022017 @default.
• W2015438802 countsByYear W20154388022022 @default.
• W2015438802 countsByYear W20154388022023 @default.
• W2015438802 crossrefType "journal-article" @default.
• W2015438802 hasAuthorship W2015438802A5026415872 @default.
• W2015438802 hasAuthorship W2015438802A5077883104 @default.
• W2015438802 hasConcept C11413529 @default.
• W2015438802 hasConcept C121332964 @default.
• W2015438802 hasConcept C121864883 @default.
• W2015438802 hasConcept C12426560 @default.
• W2015438802 hasConcept C13280743 @default.
• W2015438802 hasConcept C152365726 @default.
• W2015438802 hasConcept C170122806 @default.
• W2015438802 hasConcept C185798385 @default.
• W2015438802 hasConcept C199360897 @default.
• W2015438802 hasConcept C205649164 @default.
• W2015438802 hasConcept C2524010 @default.
• W2015438802 hasConcept C2777904410 @default.
• W2015438802 hasConcept C3020440742 @default.
• W2015438802 hasConcept C30475298 @default.
• W2015438802 hasConcept C33923547 @default.
• W2015438802 hasConcept C41008148 @default.
• W2015438802 hasConcept C62520636 @default.
• W2015438802 hasConcept C71559656 @default.
• W2015438802 hasConcept C99844830 @default.
• W2015438802 hasConceptScore W2015438802C11413529 @default.
• W2015438802 hasConceptScore W2015438802C121332964 @default.
• W2015438802 hasConceptScore W2015438802C121864883 @default.
• W2015438802 hasConceptScore W2015438802C12426560 @default.
• W2015438802 hasConceptScore W2015438802C13280743 @default.
• W2015438802 hasConceptScore W2015438802C152365726 @default.
• W2015438802 hasConceptScore W2015438802C170122806 @default.
• W2015438802 hasConceptScore W2015438802C185798385 @default.
• W2015438802 hasConceptScore W2015438802C199360897 @default.
• W2015438802 hasConceptScore W2015438802C205649164 @default.
• W2015438802 hasConceptScore W2015438802C2524010 @default.
• W2015438802 hasConceptScore W2015438802C2777904410 @default.
• W2015438802 hasConceptScore W2015438802C3020440742 @default.
• W2015438802 hasConceptScore W2015438802C30475298 @default.
• W2015438802 hasConceptScore W2015438802C33923547 @default.
• W2015438802 hasConceptScore W2015438802C41008148 @default.

• next