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asmo.owl

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@@ -773,7 +773,6 @@ prov:wasInfluencedBy should not be used without also using one of its subpropert
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<owl:ObjectProperty rdf:about="https://w3id.org/mdo/calculation/hasXCFunctional">
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<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/asmo/DensityFunctionalTheory"/>
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<rdfs:domain rdf:resource="https://w3id.org/mdo/calculation/DensityFunctionalTheoryMethod"/>
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<rdfs:range rdf:resource="https://w3id.org/mdo/calculation/ExchangeCorrelationEnergyFunctional"/>
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<rdfs:comment xml:lang="en">hasXCFunctional represents the relationship between a density functional theory method and the exchange-correlation energy functionals it takes.</rdfs:comment>
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<rdfs:label xml:lang="en">has XC functional</rdfs:label>
@@ -1027,7 +1026,6 @@ prov:wasInfluencedBy should not be used without also using one of its subpropert
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<!-- http://purls.helmholtz-metadaten.de/asmo/DensityFunctionalTheory -->
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<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/asmo/DensityFunctionalTheory">
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<owl:equivalentClass rdf:resource="https://w3id.org/mdo/calculation/DensityFunctionalTheoryMethod"/>
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<rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/asmo/ComputationalMethod"/>
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<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Density functional theory is a computational method used to study the electronic structure and ground state of atoms, molecules, and, solids. This technique determines the properties of a many-electron system thorugh functionals of the spatially dependent electron density.</obo:IAO_0000115>
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<rdfs:label>Density Functional Theory</rdfs:label>
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<!-- https://w3id.org/mdo/calculation/DensityFunctionalTheoryMethod -->
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<owl:Class rdf:about="https://w3id.org/mdo/calculation/DensityFunctionalTheoryMethod">
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<rdfs:subClassOf>
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<owl:Class>
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<owl:intersectionOf rdf:parseType="Collection">
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<owl:Restriction>
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<owl:onProperty rdf:resource="https://w3id.org/mdo/calculation/hasXCFunctional"/>
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<owl:someValuesFrom rdf:resource="https://w3id.org/mdo/calculation/ExchangeCorrelationEnergyFunctional"/>
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</owl:Restriction>
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<owl:Restriction>
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<owl:onProperty rdf:resource="https://w3id.org/mdo/calculation/hasXCFunctional"/>
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<owl:allValuesFrom rdf:resource="https://w3id.org/mdo/calculation/ExchangeCorrelationEnergyFunctional"/>
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</owl:Restriction>
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</owl:intersectionOf>
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</owl:Class>
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</rdfs:subClassOf>
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<rdfs:comment xml:lang="en">A DFT method is a computational quantum mechanical modelling method used to investigate the electronic structure based on optimization of the energy over electronic densities.</rdfs:comment>
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<rdfs:label xml:lang="en">Density Functional Theory Method</rdfs:label>
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</owl:Class>
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<!-- https://w3id.org/mdo/calculation/ExchangeCorrelationEnergyFunctional -->
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<owl:Class rdf:about="https://w3id.org/mdo/calculation/ExchangeCorrelationEnergyFunctional">

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