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Matches in DBpedia 2015-10 for { <http://dbpedia.org/resource/Computational_chemical_methods_in_solid-state_physics> ?p ?o }

• Computational_chemical_methods_in_solid-state_physics abstract "Computational chemical methods in solid-state physics follow the same approach as they do for molecules, but with two differences. First, the translational symmetry of the solid has to be utilised, and second, it is possible to use completely delocalised basis functions such as plane waves as an alternative to the molecular atom-centered basis functions. The electronic structure of a crystal is in general described by a band structure, which defines the energies of electron orbitals for each point in the Brillouin zone. Ab initio and semi-empirical calculations yield orbital energies, therefore they can be applied to band structure calculations. Since it is time-consuming to calculate the energy for a molecule, it is even more time-consuming to calculate them for the entire list of points in the Brillouin zone.Calculations can use the Hartree–Fock method, some post-Hartree–Fock methods, particularly Møller–Plesset perturbation theory to second order (MP2) and density functional theory (DFT).".
• Computational_chemical_methods_in_solid-state_physics wikiPageExternalLink computational-chemistry-and-molecular-modeling.
• Computational_chemical_methods_in_solid-state_physics wikiPageID "4682019".
• Computational_chemical_methods_in_solid-state_physics wikiPageLength "1886".
• Computational_chemical_methods_in_solid-state_physics wikiPageOutDegree "14".
• Computational_chemical_methods_in_solid-state_physics wikiPageRevisionID "617160226".
• Computational_chemical_methods_in_solid-state_physics wikiPageWikiLink Band_structure.
• Computational_chemical_methods_in_solid-state_physics wikiPageWikiLink Basis_set_(chemistry).
• Computational_chemical_methods_in_solid-state_physics wikiPageWikiLink Brillouin_zone.
• Computational_chemical_methods_in_solid-state_physics wikiPageWikiLink Category:Computational_chemistry.
• Computational_chemical_methods_in_solid-state_physics wikiPageWikiLink Category:Computational_science.
• Computational_chemical_methods_in_solid-state_physics wikiPageWikiLink Category:Condensed_matter_physics.
• Computational_chemical_methods_in_solid-state_physics wikiPageWikiLink Category:Theoretical_chemistry.
• Computational_chemical_methods_in_solid-state_physics wikiPageWikiLink Density_functional_theory.
• Computational_chemical_methods_in_solid-state_physics wikiPageWikiLink Electronic_band_structure.
• Computational_chemical_methods_in_solid-state_physics wikiPageWikiLink Hartree–Fock.
• Computational_chemical_methods_in_solid-state_physics wikiPageWikiLink Hartree–Fock_method.
• Computational_chemical_methods_in_solid-state_physics wikiPageWikiLink List_of_quantum_chemistry_and_solid-state_physics_software.
• Computational_chemical_methods_in_solid-state_physics wikiPageWikiLink Møller–Plesset_perturbation_theory.
• Computational_chemical_methods_in_solid-state_physics wikiPageWikiLink Plane_wave.
• Computational_chemical_methods_in_solid-state_physics wikiPageWikiLink Plane_waves.
• Computational_chemical_methods_in_solid-state_physics wikiPageWikiLink Post-Hartree–Fock.
• Computational_chemical_methods_in_solid-state_physics wikiPageWikiLink Solid-state_physics.
• Computational_chemical_methods_in_solid-state_physics wikiPageWikiLinkText "Computational chemical methods in solid-state physics".
• Computational_chemical_methods_in_solid-state_physics hasPhotoCollection Computational_chemical_methods_in_solid-state_physics.
• Computational_chemical_methods_in_solid-state_physics wikiPageUsesTemplate Template:Physics-stub.
• Computational_chemical_methods_in_solid-state_physics wikiPageUsesTemplate Template:Theoretical-chem-stub.
• Computational_chemical_methods_in_solid-state_physics subject Category:Computational_chemistry.
• Computational_chemical_methods_in_solid-state_physics subject Category:Computational_science.
• Computational_chemical_methods_in_solid-state_physics subject Category:Condensed_matter_physics.
• Computational_chemical_methods_in_solid-state_physics subject Category:Theoretical_chemistry.
• Computational_chemical_methods_in_solid-state_physics type Area.
• Computational_chemical_methods_in_solid-state_physics type Area.
• Computational_chemical_methods_in_solid-state_physics type Physic.
• Computational_chemical_methods_in_solid-state_physics comment "Computational chemical methods in solid-state physics follow the same approach as they do for molecules, but with two differences. First, the translational symmetry of the solid has to be utilised, and second, it is possible to use completely delocalised basis functions such as plane waves as an alternative to the molecular atom-centered basis functions.".
• Computational_chemical_methods_in_solid-state_physics label "Computational chemical methods in solid-state physics".
• Computational_chemical_methods_in_solid-state_physics sameAs طريقة_كيميائية_حسابية_في_فيزياء_الحالة_الصلبة.
• Computational_chemical_methods_in_solid-state_physics sameAs Q4119244.
• Computational_chemical_methods_in_solid-state_physics sameAs Q4119244.
• Computational_chemical_methods_in_solid-state_physics wasDerivedFrom Computational_chemical_methods_in_solid-state_physics?oldid=617160226.
• Computational_chemical_methods_in_solid-state_physics isPrimaryTopicOf Computational_chemical_methods_in_solid-state_physics.