Matches in SemOpenAlex for { <https://semopenalex.org/work/W2037785958> ?p ?o ?g. }
Showing items 1 to 97 of
97
with 100 items per page.
- W2037785958 endingPage "1688" @default.
- W2037785958 startingPage "1684" @default.
- W2037785958 abstract "A simple formalism is presented, within the density-functional approach, which constitutes a powerful scheme for directly calculating the ground-state energy of systems with arbitrarily located nuclei and their accompanying electrons. The method permits simultaneous relaxation of both the atomic geometries and the electronic charge densities of polyatomic systems towards equilibrium. It circumvents the far less efficient indirect (consecutive) approach in which the equilibrium geometry is determined after calculation of energies on the Born-Oppenheimer surface." @default.
- W2037785958 created "2016-06-24" @default.
- W2037785958 creator A5007886751 @default.
- W2037785958 creator A5040445824 @default.
- W2037785958 date "1983-05-23" @default.
- W2037785958 modified "2023-09-26" @default.
- W2037785958 title "Simultaneous Relaxation of Nuclear Geometries and Electric Charge Densities in Electronic Structure Theories" @default.
- W2037785958 cites W1969492719 @default.
- W2037785958 cites W1977361692 @default.
- W2037785958 cites W1989627724 @default.
- W2037785958 cites W1996792119 @default.
- W2037785958 cites W2001265227 @default.
- W2037785958 cites W2010785223 @default.
- W2037785958 cites W2017389116 @default.
- W2037785958 cites W2019083963 @default.
- W2037785958 cites W2023282004 @default.
- W2037785958 cites W2030976617 @default.
- W2037785958 cites W2051100963 @default.
- W2037785958 cites W2058853966 @default.
- W2037785958 cites W2078223384 @default.
- W2037785958 cites W2084407490 @default.
- W2037785958 cites W2092833690 @default.
- W2037785958 cites W2115878464 @default.
- W2037785958 cites W2229932346 @default.
- W2037785958 cites W2230728100 @default.
- W2037785958 doi "https://doi.org/10.1103/physrevlett.50.1684" @default.
- W2037785958 hasPublicationYear "1983" @default.
- W2037785958 type Work @default.
- W2037785958 sameAs 2037785958 @default.
- W2037785958 citedByCount "97" @default.
- W2037785958 countsByYear W20377859582012 @default.
- W2037785958 countsByYear W20377859582013 @default.
- W2037785958 countsByYear W20377859582014 @default.
- W2037785958 countsByYear W20377859582016 @default.
- W2037785958 countsByYear W20377859582018 @default.
- W2037785958 countsByYear W20377859582020 @default.
- W2037785958 countsByYear W20377859582021 @default.
- W2037785958 countsByYear W20377859582022 @default.
- W2037785958 countsByYear W20377859582023 @default.
- W2037785958 crossrefType "journal-article" @default.
- W2037785958 hasAuthorship W2037785958A5007886751 @default.
- W2037785958 hasAuthorship W2037785958A5040445824 @default.
- W2037785958 hasConcept C121332964 @default.
- W2037785958 hasConcept C138775182 @default.
- W2037785958 hasConcept C142362112 @default.
- W2037785958 hasConcept C145148216 @default.
- W2037785958 hasConcept C147120987 @default.
- W2037785958 hasConcept C150708132 @default.
- W2037785958 hasConcept C153349607 @default.
- W2037785958 hasConcept C15744967 @default.
- W2037785958 hasConcept C184779094 @default.
- W2037785958 hasConcept C188082385 @default.
- W2037785958 hasConcept C2776029896 @default.
- W2037785958 hasConcept C558565934 @default.
- W2037785958 hasConcept C62520636 @default.
- W2037785958 hasConcept C66594872 @default.
- W2037785958 hasConcept C73301696 @default.
- W2037785958 hasConcept C77805123 @default.
- W2037785958 hasConcept C86025842 @default.
- W2037785958 hasConceptScore W2037785958C121332964 @default.
- W2037785958 hasConceptScore W2037785958C138775182 @default.
- W2037785958 hasConceptScore W2037785958C142362112 @default.
- W2037785958 hasConceptScore W2037785958C145148216 @default.
- W2037785958 hasConceptScore W2037785958C147120987 @default.
- W2037785958 hasConceptScore W2037785958C150708132 @default.
- W2037785958 hasConceptScore W2037785958C153349607 @default.
- W2037785958 hasConceptScore W2037785958C15744967 @default.
- W2037785958 hasConceptScore W2037785958C184779094 @default.
- W2037785958 hasConceptScore W2037785958C188082385 @default.
- W2037785958 hasConceptScore W2037785958C2776029896 @default.
- W2037785958 hasConceptScore W2037785958C558565934 @default.
- W2037785958 hasConceptScore W2037785958C62520636 @default.
- W2037785958 hasConceptScore W2037785958C66594872 @default.
- W2037785958 hasConceptScore W2037785958C73301696 @default.
- W2037785958 hasConceptScore W2037785958C77805123 @default.
- W2037785958 hasConceptScore W2037785958C86025842 @default.
- W2037785958 hasIssue "21" @default.
- W2037785958 hasLocation W20377859581 @default.
- W2037785958 hasOpenAccess W2037785958 @default.
- W2037785958 hasPrimaryLocation W20377859581 @default.
- W2037785958 hasRelatedWork W1973878640 @default.
- W2037785958 hasRelatedWork W1982564864 @default.
- W2037785958 hasRelatedWork W1991727873 @default.
- W2037785958 hasRelatedWork W2006178299 @default.
- W2037785958 hasRelatedWork W2010222047 @default.
- W2037785958 hasRelatedWork W2040223677 @default.
- W2037785958 hasRelatedWork W2055662295 @default.
- W2037785958 hasRelatedWork W2092480964 @default.
- W2037785958 hasRelatedWork W2533495685 @default.
- W2037785958 hasRelatedWork W2887941383 @default.
- W2037785958 hasVolume "50" @default.
- W2037785958 isParatext "false" @default.
- W2037785958 isRetracted "false" @default.
- W2037785958 magId "2037785958" @default.
- W2037785958 workType "article" @default.