Matches in SemOpenAlex for { <https://semopenalex.org/work/W2020552009> ?p ?o ?g. }
Showing items 1 to 96 of
96
with 100 items per page.
- W2020552009 endingPage "3515" @default.
- W2020552009 startingPage "3507" @default.
- W2020552009 abstract "The asymptotic behavior of the exchange potential is derived from the long-range form of the exchange-only Kohn–Sham equations. This is then used to correct the asymptotic potential of a conventional continuum exchange functional. For atomic systems the influence of the correction on the electronic energy can be rigorously determined using a well-known virial relationship; its effect is to make the continuum exchange more like Hartree–Fock exchange. For molecular systems the model nature of the potential leads to problems with translational non-invariance. Molecular energies are therefore not considered, although optimized molecular structures can still be determined, providing internal coordinates are used. The effect of the asymptotic correction is to slightly shorten the bond lengths, again indicating an increased Hartree–Fock character. Possible implications for functional development are considered." @default.
- W2020552009 created "2016-06-24" @default.
- W2020552009 creator A5052004208 @default.
- W2020552009 date "2000-02-22" @default.
- W2020552009 modified "2023-10-16" @default.
- W2020552009 title "The asymptotic exchange potential in Kohn–Sham theory" @default.
- W2020552009 cites W1850509543 @default.
- W2020552009 cites W1969560561 @default.
- W2020552009 cites W1970512969 @default.
- W2020552009 cites W1971366228 @default.
- W2020552009 cites W1973202723 @default.
- W2020552009 cites W1981338907 @default.
- W2020552009 cites W1981368803 @default.
- W2020552009 cites W1983852130 @default.
- W2020552009 cites W1992755267 @default.
- W2020552009 cites W1995070318 @default.
- W2020552009 cites W2038533471 @default.
- W2020552009 cites W2041102233 @default.
- W2020552009 cites W2046668457 @default.
- W2020552009 cites W2047490513 @default.
- W2020552009 cites W2061775967 @default.
- W2020552009 cites W2062126576 @default.
- W2020552009 cites W2066703036 @default.
- W2020552009 cites W2069197437 @default.
- W2020552009 cites W2074323144 @default.
- W2020552009 cites W2079350723 @default.
- W2020552009 cites W2079460619 @default.
- W2020552009 cites W2086458318 @default.
- W2020552009 cites W2086957099 @default.
- W2020552009 cites W2088370223 @default.
- W2020552009 cites W2094376864 @default.
- W2020552009 cites W2122154840 @default.
- W2020552009 cites W2134344701 @default.
- W2020552009 cites W2143553746 @default.
- W2020552009 cites W2156974254 @default.
- W2020552009 cites W2160765180 @default.
- W2020552009 cites W4230151690 @default.
- W2020552009 cites W4251792774 @default.
- W2020552009 cites W4252598364 @default.
- W2020552009 doi "https://doi.org/10.1063/1.480505" @default.
- W2020552009 hasPublicationYear "2000" @default.
- W2020552009 type Work @default.
- W2020552009 sameAs 2020552009 @default.
- W2020552009 citedByCount "61" @default.
- W2020552009 countsByYear W20205520092012 @default.
- W2020552009 countsByYear W20205520092013 @default.
- W2020552009 countsByYear W20205520092014 @default.
- W2020552009 countsByYear W20205520092015 @default.
- W2020552009 countsByYear W20205520092016 @default.
- W2020552009 countsByYear W20205520092017 @default.
- W2020552009 countsByYear W20205520092018 @default.
- W2020552009 countsByYear W20205520092020 @default.
- W2020552009 countsByYear W20205520092022 @default.
- W2020552009 crossrefType "journal-article" @default.
- W2020552009 hasAuthorship W2020552009A5052004208 @default.
- W2020552009 hasConcept C113630233 @default.
- W2020552009 hasConcept C121332964 @default.
- W2020552009 hasConcept C121864883 @default.
- W2020552009 hasConcept C147597530 @default.
- W2020552009 hasConcept C152365726 @default.
- W2020552009 hasConcept C185592680 @default.
- W2020552009 hasConcept C189549420 @default.
- W2020552009 hasConcept C62520636 @default.
- W2020552009 hasConcept C9059619 @default.
- W2020552009 hasConcept C98444146 @default.
- W2020552009 hasConceptScore W2020552009C113630233 @default.
- W2020552009 hasConceptScore W2020552009C121332964 @default.
- W2020552009 hasConceptScore W2020552009C121864883 @default.
- W2020552009 hasConceptScore W2020552009C147597530 @default.
- W2020552009 hasConceptScore W2020552009C152365726 @default.
- W2020552009 hasConceptScore W2020552009C185592680 @default.
- W2020552009 hasConceptScore W2020552009C189549420 @default.
- W2020552009 hasConceptScore W2020552009C62520636 @default.
- W2020552009 hasConceptScore W2020552009C9059619 @default.
- W2020552009 hasConceptScore W2020552009C98444146 @default.
- W2020552009 hasIssue "8" @default.
- W2020552009 hasLocation W20205520091 @default.
- W2020552009 hasOpenAccess W2020552009 @default.
- W2020552009 hasPrimaryLocation W20205520091 @default.
- W2020552009 hasRelatedWork W1778159597 @default.
- W2020552009 hasRelatedWork W2016204572 @default.
- W2020552009 hasRelatedWork W2017083518 @default.
- W2020552009 hasRelatedWork W2020552009 @default.
- W2020552009 hasRelatedWork W2024706133 @default.
- W2020552009 hasRelatedWork W2113612316 @default.
- W2020552009 hasRelatedWork W2152284439 @default.
- W2020552009 hasRelatedWork W2164035350 @default.
- W2020552009 hasRelatedWork W3044654873 @default.
- W2020552009 hasRelatedWork W2016562941 @default.
- W2020552009 hasVolume "112" @default.
- W2020552009 isParatext "false" @default.
- W2020552009 isRetracted "false" @default.
- W2020552009 magId "2020552009" @default.
- W2020552009 workType "article" @default.