Matches in SemOpenAlex for { <https://semopenalex.org/work/W2015743947> ?p ?o ?g. }
Showing items 1 to 89 of
89
with 100 items per page.
- W2015743947 endingPage "662" @default.
- W2015743947 startingPage "649" @default.
- W2015743947 abstract "The previously developed first-principles density-functional (nonlocal) atomic pseudopotentials are extended to include explicit spin effects as well as electronic correlation effects beyond the local-spin-density (LSD) formalism. Such angular-momentum-and spin-dependent pseudopotentials enable the extension of pseudopotential applications to study magnetic problems (e.g., transition-metal and other open-shell impurities in solids, ferromagnetic surfaces, etc.). As the spurious electronic self-interaction terms characterizing the LSD energy functional are self-consistently removed, these pseudopotentials can also be used to calculate reliably localized electronic states (e.g., deep defect levels, surface and interface states, narrow-band states in solids, etc.). Applications to atoms show that this pseudopotential method removes many of the anomalies of the LSD approach, including the systematically high total energy, the failure to predict the stability of negative ions, the lack of correlation between orbital energies and observed ionization potentials, and the erroneous ordering of $s$ and $d$ levels of the $3d$ transition elements Sc to Fe in their ${d}^{nensuremath{-}1}{s}^{1}$ configuration." @default.
- W2015743947 created "2016-06-24" @default.
- W2015743947 creator A5007886751 @default.
- W2015743947 date "1980-07-15" @default.
- W2015743947 modified "2023-10-16" @default.
- W2015743947 title "Spin-dependent correlated atomic pseudopotentials" @default.
- W2015743947 cites W1840376913 @default.
- W2015743947 cites W1964115980 @default.
- W2015743947 cites W1964900816 @default.
- W2015743947 cites W1966396087 @default.
- W2015743947 cites W1969471810 @default.
- W2015743947 cites W1972030176 @default.
- W2015743947 cites W1973955035 @default.
- W2015743947 cites W1976259551 @default.
- W2015743947 cites W1976325961 @default.
- W2015743947 cites W1981844787 @default.
- W2015743947 cites W1988027329 @default.
- W2015743947 cites W1989746627 @default.
- W2015743947 cites W1990364751 @default.
- W2015743947 cites W1996792119 @default.
- W2015743947 cites W2000822641 @default.
- W2015743947 cites W2008710288 @default.
- W2015743947 cites W2009867601 @default.
- W2015743947 cites W2018541907 @default.
- W2015743947 cites W2028432682 @default.
- W2015743947 cites W2033547713 @default.
- W2015743947 cites W2034683555 @default.
- W2015743947 cites W2035326327 @default.
- W2015743947 cites W2036330668 @default.
- W2015743947 cites W2036416666 @default.
- W2015743947 cites W2039276593 @default.
- W2015743947 cites W2047580474 @default.
- W2015743947 cites W2051901215 @default.
- W2015743947 cites W2071827078 @default.
- W2015743947 cites W2075895562 @default.
- W2015743947 cites W2076858582 @default.
- W2015743947 cites W2078026190 @default.
- W2015743947 cites W2080236008 @default.
- W2015743947 cites W2085234413 @default.
- W2015743947 cites W2086628812 @default.
- W2015743947 cites W2088009602 @default.
- W2015743947 cites W2088769587 @default.
- W2015743947 cites W2089578084 @default.
- W2015743947 cites W2091648165 @default.
- W2015743947 cites W2094557885 @default.
- W2015743947 cites W2230728100 @default.
- W2015743947 cites W4255323850 @default.
- W2015743947 doi "https://doi.org/10.1103/physrevb.22.649" @default.
- W2015743947 hasPublicationYear "1980" @default.
- W2015743947 type Work @default.
- W2015743947 sameAs 2015743947 @default.
- W2015743947 citedByCount "34" @default.
- W2015743947 crossrefType "journal-article" @default.
- W2015743947 hasAuthorship W2015743947A5007886751 @default.
- W2015743947 hasConcept C121332964 @default.
- W2015743947 hasConcept C132378524 @default.
- W2015743947 hasConcept C184779094 @default.
- W2015743947 hasConcept C26873012 @default.
- W2015743947 hasConcept C42704618 @default.
- W2015743947 hasConcept C82217956 @default.
- W2015743947 hasConcept C97355855 @default.
- W2015743947 hasConceptScore W2015743947C121332964 @default.
- W2015743947 hasConceptScore W2015743947C132378524 @default.
- W2015743947 hasConceptScore W2015743947C184779094 @default.
- W2015743947 hasConceptScore W2015743947C26873012 @default.
- W2015743947 hasConceptScore W2015743947C42704618 @default.
- W2015743947 hasConceptScore W2015743947C82217956 @default.
- W2015743947 hasConceptScore W2015743947C97355855 @default.
- W2015743947 hasIssue "2" @default.
- W2015743947 hasLocation W20157439471 @default.
- W2015743947 hasOpenAccess W2015743947 @default.
- W2015743947 hasPrimaryLocation W20157439471 @default.
- W2015743947 hasRelatedWork W1624518147 @default.
- W2015743947 hasRelatedWork W1976321268 @default.
- W2015743947 hasRelatedWork W2029121790 @default.
- W2015743947 hasRelatedWork W2049376905 @default.
- W2015743947 hasRelatedWork W2067907617 @default.
- W2015743947 hasRelatedWork W2595903082 @default.
- W2015743947 hasRelatedWork W2888824359 @default.
- W2015743947 hasRelatedWork W2943091290 @default.
- W2015743947 hasRelatedWork W3155078957 @default.
- W2015743947 hasRelatedWork W3190190850 @default.
- W2015743947 hasVolume "22" @default.
- W2015743947 isParatext "false" @default.
- W2015743947 isRetracted "false" @default.
- W2015743947 magId "2015743947" @default.
- W2015743947 workType "article" @default.