About: Adaptibility and accuracy of all-electron pseudopotentials     Goto   Sponge   NotDistinct   Permalink

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Description
  • We show that the pseudopotentials constructed for two energy channels and using the pseudized core charge included in exchange and correlation potential terms, can provide an exact and stable solution for cases where the current pseudopotential methods encounter
  • We show that the pseudopotentials constructed for two energy channels and using the pseudized core charge included in exchange and correlation potential terms, can provide an exact and stable solution for cases where the current pseudopotential methods encounter (en)
  • Bylo ukázáno, že pseudopotenciály konstruované pro dva energetické kanály a používající pseudizovaný náboj uvnitř atomu zahrnující výměnné a korelační členy dávají přesná a stabilní řešení i v případech, kde běžné pseudopotenciálové metody selhávají (cs)
Title
  • Adaptabilita a přesnost all-elektronových pseudopotenciálů (cs)
  • Adaptibility and accuracy of all-electron pseudopotentials
  • Adaptibility and accuracy of all-electron pseudopotentials (en)
skos:prefLabel
  • Adaptabilita a přesnost all-elektronových pseudopotenciálů (cs)
  • Adaptibility and accuracy of all-electron pseudopotentials
  • Adaptibility and accuracy of all-electron pseudopotentials (en)
skos:notation
  • RIV/68378271:_____/03:00100083!RIV/2005/AV0/A02005/N
http://linked.open.../vavai/riv/strany
  • 125113/1;125113/9
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(GA202/02/0841), P(IAA1010317), P(IAA1010906), Z(AV0Z1010914)
http://linked.open...iv/cisloPeriodika
  • 12
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 597429
http://linked.open...ai/riv/idVysledku
  • RIV/68378271:_____/03:00100083
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • pseudopotential; all-electron (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [F07489D4C53B]
http://linked.open...i/riv/nazevZdroje
  • Physical Review. B
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 67
http://linked.open...iv/tvurceVysledku
  • Šimůnek, Antonín
  • Vackář, Jiří
http://linked.open...n/vavai/riv/zamer
issn
  • 0163-1829
number of pages
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