@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix dcterms: <http://purl.org/dc/terms/> .
@prefix prov: <http://www.w3.org/ns/prov#> .
@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix owl: <http://www.w3.org/2002/07/owl#> .
@prefix matsci: <https://w3id.org/matsci-sam/metadata#> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .

<https://w3id.org/matsci-sam/vocabulary/pseudopotential> a skos:Concept ;
  skos:inScheme <https://w3id.org/matsci-sam/vocabulary> ;
  skos:prefLabel "pseudopotential"@en ;
  matsci:canonicalDefinition <https://w3id.org/matsci-sam/vocabulary/pseudopotential/definitions/1> ;
  skos:definition <https://w3id.org/matsci-sam/vocabulary/pseudopotential/definitions/1/revisions/1> ;
  skos:definition <https://w3id.org/matsci-sam/vocabulary/pseudopotential/definitions/2/revisions/1> ;
  dcterms:contributor "Christopher Rauch" ;
  dcterms:contributor "gemma4:26b" ;
  dcterms:created "2026-07-26"^^xsd:date .

<https://w3id.org/matsci-sam/vocabulary/pseudopotential/definitions/1> a matsci:Definition ;
  dcterms:isPartOf <https://w3id.org/matsci-sam/vocabulary/pseudopotential> ;
  matsci:definitionNumber "1"^^xsd:positiveInteger ;
  matsci:currentRevision <https://w3id.org/matsci-sam/vocabulary/pseudopotential/definitions/1/revisions/1> ;
  dcterms:hasVersion <https://w3id.org/matsci-sam/vocabulary/pseudopotential/definitions/1/revisions/1> ;
  dcterms:created "2026-07-26T11:21:42.089Z"^^xsd:dateTime .

<https://w3id.org/matsci-sam/vocabulary/pseudopotential/definitions/1/revisions/1> a matsci:DefinitionRevision ;
  rdf:value "A simplified stand-in for the nucleus and tightly bound core electrons of an atom, constructed so that the valence electrons behave as they would in the full system. Replacing the sharply varying core region with a smooth effective potential is what makes plane-wave electronic structure calculations tractable."@en ;
  skos:example "Results from two studies disagreed until the authors noted that each had used a different pseudopotential for oxygen."@en ;
  dcterms:isVersionOf <https://w3id.org/matsci-sam/vocabulary/pseudopotential/definitions/1> ;
  prov:specializationOf <https://w3id.org/matsci-sam/vocabulary/pseudopotential/definitions/1> ;
  dcterms:creator "Christopher Rauch" ;
  matsci:version "1"^^xsd:positiveInteger ;
  matsci:status "proposed" ;
  dcterms:created "2026-07-26T11:21:42.089Z"^^xsd:dateTime .

<https://w3id.org/matsci-sam/vocabulary/pseudopotential/definitions/2> a matsci:Definition ;
  dcterms:isPartOf <https://w3id.org/matsci-sam/vocabulary/pseudopotential> ;
  matsci:definitionNumber "2"^^xsd:positiveInteger ;
  matsci:currentRevision <https://w3id.org/matsci-sam/vocabulary/pseudopotential/definitions/2/revisions/1> ;
  dcterms:hasVersion <https://w3id.org/matsci-sam/vocabulary/pseudopotential/definitions/2/revisions/1> ;
  dcterms:created "2026-07-26T11:21:50.647Z"^^xsd:dateTime .

<https://w3id.org/matsci-sam/vocabulary/pseudopotential/definitions/2/revisions/1> a matsci:DefinitionRevision ;
  rdf:value "An effective potential used in computational quantum mechanics to replace the complex interaction between an ion's nucleus and its core electrons with a simplified potential, focusing calculations solely on the chemically active valence electrons."@en ;
  skos:example "By employing a norm-conserving pseudopotential, the researcher significantly reduced the computational cost of the density functional theory (DFT) simulation without sacrificing the accuracy of the bond-length predictions."@en ;
  dcterms:isVersionOf <https://w3id.org/matsci-sam/vocabulary/pseudopotential/definitions/2> ;
  prov:specializationOf <https://w3id.org/matsci-sam/vocabulary/pseudopotential/definitions/2> ;
  dcterms:creator "gemma4:26b" ;
  matsci:version "1"^^xsd:positiveInteger ;
  matsci:status "proposed" ;
  dcterms:created "2026-07-26T11:21:50.647Z"^^xsd:dateTime .