FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1965752441> ?p ?o ?g. }

• W1965752441 endingPage "517" @default.
• W1965752441 startingPage "508" @default.
• W1965752441 abstract "A method for accurate and efficient local density functional calculations (LDF) on molecules is described and presented with results. The method, Dmol for short, uses fast convergent three-dimensional numerical integrations to calculate the matrix elements occurring in the Ritz variation method. The flexibility of the integration technique opens the way to use the most efficient variational basis sets. A practical choice of numerical basis sets is shown with a built-in capability to reach the LDF dissociation limit exactly. Dmol includes also an efficient, exact approach for calculating the electrostatic potential. Results on small molecules illustrate present accuracy and error properties of the method. Computational effort for this method grows to leading order with the cube of the molecule size. Except for the solution of an algebraic eigenvalue problem the method can be refined to quadratic growth for large molecules." @default.
• W1965752441 created "2016-06-24" @default.
• W1965752441 creator A5045668012 @default.
• W1965752441 date "1990-01-01" @default.
• W1965752441 modified "2023-10-18" @default.
• W1965752441 title "An all-electron numerical method for solving the local density functional for polyatomic molecules" @default.
• W1965752441 cites W1840376913 @default.
• W1965752441 cites W1972482893 @default.
• W1965752441 cites W1972540241 @default.
• W1965752441 cites W1978365214 @default.
• W1965752441 cites W1984120670 @default.
• W1965752441 cites W1985583109 @default.
• W1965752441 cites W1985902505 @default.
• W1965752441 cites W1987592858 @default.
• W1965752441 cites W1993248751 @default.
• W1965752441 cites W1993678726 @default.
• W1965752441 cites W2008569681 @default.
• W1965752441 cites W2009867601 @default.
• W1965752441 cites W2011079470 @default.
• W1965752441 cites W2030976617 @default.
• W1965752441 cites W2061212960 @default.
• W1965752441 cites W2062860691 @default.
• W1965752441 cites W2063820482 @default.
• W1965752441 cites W2069026416 @default.
• W1965752441 cites W2071955309 @default.
• W1965752441 cites W2082719796 @default.
• W1965752441 cites W2087578058 @default.
• W1965752441 cites W2088177744 @default.
• W1965752441 cites W2088380112 @default.
• W1965752441 cites W2110680928 @default.
• W1965752441 cites W2123195204 @default.
• W1965752441 cites W2230728100 @default.
• W1965752441 cites W2619609791 @default.
• W1965752441 cites W272242927 @default.
• W1965752441 doi "https://doi.org/10.1063/1.458452" @default.
• W1965752441 hasPublicationYear "1990" @default.
• W1965752441 type Work @default.
• W1965752441 sameAs 1965752441 @default.
• W1965752441 citedByCount "8818" @default.
• W1965752441 countsByYear W19657524412012 @default.
• W1965752441 countsByYear W19657524412013 @default.
• W1965752441 countsByYear W19657524412014 @default.
• W1965752441 countsByYear W19657524412015 @default.
• W1965752441 countsByYear W19657524412016 @default.
• W1965752441 countsByYear W19657524412017 @default.
• W1965752441 countsByYear W19657524412018 @default.
• W1965752441 countsByYear W19657524412019 @default.
• W1965752441 countsByYear W19657524412020 @default.
• W1965752441 countsByYear W19657524412021 @default.
• W1965752441 countsByYear W19657524412022 @default.
• W1965752441 countsByYear W19657524412023 @default.
• W1965752441 crossrefType "journal-article" @default.
• W1965752441 hasAuthorship W1965752441A5045668012 @default.
• W1965752441 hasConcept C121332964 @default.
• W1965752441 hasConcept C12426560 @default.
• W1965752441 hasConcept C129844170 @default.
• W1965752441 hasConcept C134306372 @default.
• W1965752441 hasConcept C147597530 @default.
• W1965752441 hasConcept C151201525 @default.
• W1965752441 hasConcept C152365726 @default.
• W1965752441 hasConcept C158693339 @default.
• W1965752441 hasConcept C182310444 @default.
• W1965752441 hasConcept C185592680 @default.
• W1965752441 hasConcept C21575042 @default.
• W1965752441 hasConcept C2524010 @default.
• W1965752441 hasConcept C28826006 @default.
• W1965752441 hasConcept C32909587 @default.
• W1965752441 hasConcept C33923547 @default.
• W1965752441 hasConcept C48753275 @default.
• W1965752441 hasConcept C62520636 @default.
• W1965752441 hasConcept C66594872 @default.
• W1965752441 hasConcept C9376300 @default.
• W1965752441 hasConceptScore W1965752441C121332964 @default.
• W1965752441 hasConceptScore W1965752441C12426560 @default.
• W1965752441 hasConceptScore W1965752441C129844170 @default.
• W1965752441 hasConceptScore W1965752441C134306372 @default.
• W1965752441 hasConceptScore W1965752441C147597530 @default.
• W1965752441 hasConceptScore W1965752441C151201525 @default.
• W1965752441 hasConceptScore W1965752441C152365726 @default.
• W1965752441 hasConceptScore W1965752441C158693339 @default.
• W1965752441 hasConceptScore W1965752441C182310444 @default.
• W1965752441 hasConceptScore W1965752441C185592680 @default.
• W1965752441 hasConceptScore W1965752441C21575042 @default.
• W1965752441 hasConceptScore W1965752441C2524010 @default.
• W1965752441 hasConceptScore W1965752441C28826006 @default.
• W1965752441 hasConceptScore W1965752441C32909587 @default.
• W1965752441 hasConceptScore W1965752441C33923547 @default.
• W1965752441 hasConceptScore W1965752441C48753275 @default.
• W1965752441 hasConceptScore W1965752441C62520636 @default.
• W1965752441 hasConceptScore W1965752441C66594872 @default.
• W1965752441 hasConceptScore W1965752441C9376300 @default.
• W1965752441 hasIssue "1" @default.
• W1965752441 hasLocation W19657524411 @default.
• W1965752441 hasOpenAccess W1965752441 @default.
• W1965752441 hasPrimaryLocation W19657524411 @default.
• W1965752441 hasRelatedWork W1870098235 @default.
• W1965752441 hasRelatedWork W1998174474 @default.
• W1965752441 hasRelatedWork W2000389666 @default.

• next