An Entity of Type: Thing, from Named Graph: http://dbpedia.org, within Data Space: dbpedia.org

The Strictly-Correlated-Electrons (SCE) density functional theory (SCE DFT) approach, originally proposed by Michael Seidl, is a formulation of density functional theory, alternative to the widely used Kohn-Sham DFT, especially aimed at the study of strongly-correlated systems. The essential difference between the two approaches is the choice of the auxiliary system (having the same density as the real, physical one). In Kohn-Sham DFT this system is composed by non-interacting electrons, for which the kinetic energy can be calculated exactly and the interaction term has to be approximated. In SCE DFT, instead, the starting point is totally the opposite one: the auxiliary system has infinite electronic correlation and zero kinetic energy.

Property Value
dbo:abstract
  • The Strictly-Correlated-Electrons (SCE) density functional theory (SCE DFT) approach, originally proposed by Michael Seidl, is a formulation of density functional theory, alternative to the widely used Kohn-Sham DFT, especially aimed at the study of strongly-correlated systems. The essential difference between the two approaches is the choice of the auxiliary system (having the same density as the real, physical one). In Kohn-Sham DFT this system is composed by non-interacting electrons, for which the kinetic energy can be calculated exactly and the interaction term has to be approximated. In SCE DFT, instead, the starting point is totally the opposite one: the auxiliary system has infinite electronic correlation and zero kinetic energy. (en)
dbo:thumbnail
dbo:wikiPageID
  • 48524515 (xsd:integer)
dbo:wikiPageLength
  • 15325 (xsd:nonNegativeInteger)
dbo:wikiPageRevisionID
  • 1119161797 (xsd:integer)
dbo:wikiPageWikiLink
dbp:wikiPageUsesTemplate
dcterms:subject
rdfs:comment
  • The Strictly-Correlated-Electrons (SCE) density functional theory (SCE DFT) approach, originally proposed by Michael Seidl, is a formulation of density functional theory, alternative to the widely used Kohn-Sham DFT, especially aimed at the study of strongly-correlated systems. The essential difference between the two approaches is the choice of the auxiliary system (having the same density as the real, physical one). In Kohn-Sham DFT this system is composed by non-interacting electrons, for which the kinetic energy can be calculated exactly and the interaction term has to be approximated. In SCE DFT, instead, the starting point is totally the opposite one: the auxiliary system has infinite electronic correlation and zero kinetic energy. (en)
rdfs:label
  • Strictly-Correlated-Electrons density functional theory (en)
owl:sameAs
prov:wasDerivedFrom
foaf:depiction
foaf:isPrimaryTopicOf
is foaf:primaryTopic of
Powered by OpenLink Virtuoso    This material is Open Knowledge     W3C Semantic Web Technology     This material is Open Knowledge    Valid XHTML + RDFa
This content was extracted from Wikipedia and is licensed under the Creative Commons Attribution-ShareAlike 3.0 Unported License