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| rdfs | http://www.w3.org/2000/01/rdf-schema# |
| rdf | http://www.w3.org/1999/02/22-rdf-syntax-ns# |
| xsdh | http://www.w3.org/2001/XMLSchema# |
| dbpedia | http://dbpedia.org/resource/ |
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- dbpedia:Density_functional_theory
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Density functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. Using this theory, the properties of a many-electron system can be determined by using functionals, i.e. functions of another function, which in this case is the spatially dependent electron density.