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- Post-Hartree–Fock abstract "In computational chemistry, post-Hartree–Fock methods are the set of methods developed to improve on the Hartree–Fock (HF), or self-consistent field (SCF) method. They add electron correlation which is a more accurate way of including the repulsions between electrons than in the Hartree–Fock method where repulsions are only averaged.In general, the SCF procedure makes several assumptions about the nature of the multi-body Schrödinger equation and its set of solutions: The Born–Oppenheimer approximation is inherently assumed. The true wavefunction should also be a function of the coordinates of each of the nuclei. Typically, relativistic effects are completely neglected. The momentum operator is assumed to be completely nonrelativistic. The basis set is composed of a finite number of orthogonal functions. The true wavefunction is a linear combination of functions from a complete (infinite) basis set. The energy eigenfunctions are assumed to be products of one-electron wavefunctions. The effects of electron correlation, beyond that of exchange energy resulting from the anti-symmetrization of the wavefunction, are completely neglected.For the great majority of systems under study, in particular for excited states and processes such as molecular dissociation reactions, the fourth item is by far the most important. As a result, the term post-Hartree–Fock method is typically used for methods of approximating the electron correlation of a system.Usually, post-Hartree–Fock methods give more accurate results than Hartree–Fock calculations, although the added accuracy comes with the price of added computational cost.".
- Post-Hartree–Fock wikiPageID "2066437".
- Post-Hartree–Fock wikiPageLength "7659".
- Post-Hartree–Fock wikiPageOutDegree "23".
- Post-Hartree–Fock wikiPageRevisionID "676457859".
- Post-Hartree–Fock wikiPageWikiLink Basis_set_(chemistry).
- Post-Hartree–Fock wikiPageWikiLink Born–Oppenheimer_approximation.
- Post-Hartree–Fock wikiPageWikiLink Category:Computational_chemistry.
- Post-Hartree–Fock wikiPageWikiLink Category:Quantum_chemistry.
- Post-Hartree–Fock wikiPageWikiLink Complete_metric_space.
- Post-Hartree–Fock wikiPageWikiLink Complete_space.
- Post-Hartree–Fock wikiPageWikiLink Computational_chemistry.
- Post-Hartree–Fock wikiPageWikiLink Configuration_interaction.
- Post-Hartree–Fock wikiPageWikiLink Coupled_cluster.
- Post-Hartree–Fock wikiPageWikiLink Electronic_correlation.
- Post-Hartree–Fock wikiPageWikiLink Energy_eigenfunctions.
- Post-Hartree–Fock wikiPageWikiLink Fermion.
- Post-Hartree–Fock wikiPageWikiLink Hartree–Fock.
- Post-Hartree–Fock wikiPageWikiLink Hartree–Fock_method.
- Post-Hartree–Fock wikiPageWikiLink Linear_combination.
- Post-Hartree–Fock wikiPageWikiLink Momentum_operator.
- Post-Hartree–Fock wikiPageWikiLink Multi-configurational_self-consistent_field.
- Post-Hartree–Fock wikiPageWikiLink Multireference_configuration_interaction.
- Post-Hartree–Fock wikiPageWikiLink Møller–Plesset_perturbation_theory.
- Post-Hartree–Fock wikiPageWikiLink N-electron_valence_state_perturbation_theory.
- Post-Hartree–Fock wikiPageWikiLink Orthogonal.
- Post-Hartree–Fock wikiPageWikiLink Orthogonality.
- Post-Hartree–Fock wikiPageWikiLink Quadratic_configuration_interaction.
- Post-Hartree–Fock wikiPageWikiLink Quantum_chemistry_composite_methods.
- Post-Hartree–Fock wikiPageWikiLink Schrödinger_equation.
- Post-Hartree–Fock wikiPageWikiLink Special_relativity.
- Post-Hartree–Fock wikiPageWikiLink Stationary_state.
- Post-Hartree–Fock wikiPageWikiLinkText "Many types of calculations".
- Post-Hartree–Fock wikiPageWikiLinkText "Post-HF".
- Post-Hartree–Fock wikiPageWikiLinkText "Post-Hartree–Fock".
- Post-Hartree–Fock wikiPageWikiLinkText "Post-Hartree–Fock".
- Post-Hartree–Fock wikiPageWikiLinkText "its descendants".
- Post-Hartree–Fock wikiPageWikiLinkText "post-Hartree–Fock".
- Post-Hartree–Fock wikiPageWikiLinkText "post-Hartree–Fock models".
- Post-Hartree–Fock wikiPageWikiLinkText "post-Hartree–Fock".
- Post-Hartree–Fock hasPhotoCollection Post-Hartree–Fock.
- Post-Hartree–Fock wikiPageUsesTemplate Template:Cite_book.
- Post-Hartree–Fock wikiPageUsesTemplate Template:Reflist.
- Post-Hartree–Fock subject Category:Computational_chemistry.
- Post-Hartree–Fock subject Category:Quantum_chemistry.
- Post-Hartree–Fock comment "In computational chemistry, post-Hartree–Fock methods are the set of methods developed to improve on the Hartree–Fock (HF), or self-consistent field (SCF) method.".
- Post-Hartree–Fock label "Post-Hartree–Fock".
- Post-Hartree–Fock sameAs Méthode_post-Hartree-Fock.
- Post-Hartree–Fock sameAs Pasca-Hartree-Fock.
- Post-Hartree–Fock sameAs ポスト-ハートリー-フォック法.
- Post-Hartree–Fock sameAs Post-Hartree-Fock.
- Post-Hartree–Fock sameAs Método_pós-Hartree-Fock.
- Post-Hartree–Fock sameAs m.06jrbc.
- Post-Hartree–Fock sameAs Q2785635.
- Post-Hartree–Fock sameAs Q2785635.
- Post-Hartree–Fock wasDerivedFrom Post-Hartree–Fock?oldid=676457859.
- Post-Hartree–Fock isPrimaryTopicOf Post-Hartree–Fock.