@prefix prov: <http://www.w3.org/ns/prov#> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix matsci: <https://w3id.org/matsci-sam/metadata#> .

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  rdfs:label "density functional theory (dft)" ;
  <https://w3id.org/matsci-sam/metadata#created> "2025-09-04 15:29:45.626307" .
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  rdfs:label "Definition 1" ;
  <https://w3id.org/matsci-sam/metadata#definitionNumber> "1" .
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  rdfs:label "Definition 2" ;
  <https://w3id.org/matsci-sam/metadata#definitionNumber> "2" .
<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/3> a prov:Entity, matsci:Definition ;
  rdfs:label "Definition 3" ;
  <https://w3id.org/matsci-sam/metadata#definitionNumber> "3" .
<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/1/revisions/1> a prov:Entity, matsci:DefinitionRevision ;
  rdfs:label "Definition 1 · revision 1 (current)" ;
  prov:value "A computational method used to simulate materials (or molecules) on an atomic scale. A charge density is guessed, then updated until it is no longer changing. The results include energy and per-atom forces and can be post-processed to calculate elastic properties, band structures, and more." ;
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  <https://w3id.org/matsci-sam/metadata#version> "1" ;
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  <https://w3id.org/matsci-sam/metadata#editor> "Colton Gerber" ;
  <https://w3id.org/matsci-sam/metadata#changeNote> "Initial contribution" .
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  rdfs:label "Write definition" ;
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<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#user_7> a prov:Person ;
  rdfs:label "Colton Gerber" .
<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/2/revisions/1> a prov:Entity, matsci:DefinitionRevision ;
  rdfs:label "Definition 2 · revision 1 (current)" ;
  prov:value "Density functional theory (DFT) is a computational method that utilizes electron charge densities to approximate the ground-state electronic structure and properties of materials, bypassing the explicit solution of the many-body Schrödinger equation." ;
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  rdfs:label "Definition 3 · revision 1 (current)" ;
  prov:value "Density functional theory (DFT) is a computational modeling method that uses electron density as the fundamental variable to approximate the ground-state electronic structure of many-body systems, replacing the complex many-electron wavefunction with a functional of the density to simplify the solution of the Schrödinger equation." ;
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  rdfs:label "Definition 2 · example 1" ;
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_:featuredExample_b2a48a1a629f48c0_2_2 prov:wasGeneratedBy _:featureExample_b2a48a1a629f48c0_2_2 .
_:featuredExample_b2a48a1a629f48c0_2_2 prov:wasDerivedFrom _:example_b2a48a1a629f48c0_2_1 .
<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#ai_contribution_request_3> prov:wasAttributedTo <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#user_81> .
<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#act_ai_contribution_suggestion_3> prov:wasAssociatedWith <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#model_gemma4%3A26b> .
<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#act_ai_contribution_suggestion_3> prov:wasAssociatedWith <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#user_81> .
<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#act_ai_contribution_suggestion_3> prov:used <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#prompt_3cc09fa6db82e5c8> .
<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#act_ai_contribution_suggestion_3> prov:used <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#ai_contribution_request_3> .
<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#act_ai_contribution_suggestion_3> prov:used <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/2/revisions/1> .
<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#act_ai_contribution_suggestion_3> prov:used <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#ai_contribution_input_3> .
<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#ai_contribution_input_3> prov:wasDerivedFrom <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/2/revisions/1> .
<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#ai_contribution_feedback_3> prov:wasAttributedTo <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#user_81> .
<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#ai_contribution_feedback_3> prov:wasDerivedFrom <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/2/revisions/1> .
<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#act_ai_contribution_suggestion_3> prov:used <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#ai_contribution_feedback_3> .
<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#ai_contribution_suggestion_3> prov:wasGeneratedBy <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#act_ai_contribution_suggestion_3> .
<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#ai_contribution_suggestion_3> prov:wasAttributedTo <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#model_gemma4%3A26b> .
<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#ai_contribution_suggestion_3> prov:wasDerivedFrom <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/2/revisions/1> .
<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/3/revisions/1> prov:wasDerivedFrom <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#ai_contribution_suggestion_3> .
<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#act_revision_99> prov:used <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#ai_contribution_suggestion_3> .
<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#act_revision_99> prov:used <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/2/revisions/1> .
<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#comment_24> prov:wasAttributedTo <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#user_39> .
<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#comment_24> prov:wasDerivedFrom <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/2/revisions/1> .
<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#anonymous_vote_1> prov:used <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/2/revisions/1> .
<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/provenance#anonymous_vote_2> prov:used <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/2/revisions/1> .