Matches in DBpedia 2015-10 for { <http://dbpedia.org/resource/Hartree–Fock_method> ?p ?o }
- Hartree–Fock_method abstract "In computational physics and chemistry, the Hartree–Fock (HF) method is a method of approximation for the determination of the wave function and the energy of a quantum many-body system in a stationary state.The Hartree–Fock method often assumes that the exact, N-body wave function of the system can be approximated by a single Slater determinant (in the case where the particles are fermions) or by a single permanent (in the case of bosons) of N spin-orbitals. By invoking the variational method, one can derive a set of N-coupled equations for the N spin orbitals. A solution of these equations yields the Hartree–Fock wave function and energy of the system.Especially in the older literature, the Hartree–Fock method is also called the self-consistent field method (SCF). In deriving what is now called the Hartree equation as an approximate solution of the Schrödinger equation, Hartree required the final field as computed from the charge distribution to be "self-consistent" with the assumed initial field. Thus, self-consistency was a requirement of the solution. The solutions to the non-linear Hartree–Fock equations also behave as if each particle is subjected to the mean field created by all other particles (see the Fock operator below) and hence the terminology continued. The equations are almost universally solved by means of an iterative method, although the fixed-point iteration algorithm does not always converge.This solution scheme is not the only one possible and is not an essential feature of the Hartree–Fock method.The Hartree–Fock method finds its typical application in the solution of the Schrödinger equation for atoms, molecules, nanostructures and solids but it has also found widespread use in nuclear physics. (See Hartree–Fock–Bogoliubov method for a discussion of its application in nuclear structure theory). In atomic structure theory, calculations may be for a spectrum with many excited energy levels and consequently the Hartree–Fock method for atoms assumes the wave function is a single configuration state function with well-defined quantum numbers and that the energy level is not necessarily the ground state.For both atoms and molecules, the Hartree–Fock solution is the central starting point for most methods that describe the many-electron system more accurately.The rest of this article will focus on applications in electronic structure theory suitable for molecules with the atom as a special case.The discussion here is only for the Restricted Hartree–Fock method, where the atom or molecule is a closed-shell system with all orbitals (atomic or molecular) doubly occupied. Open-shell systems, where some of the electrons are not paired, can be dealt with by one of two Hartree–Fock methods: Restricted open-shell Hartree–Fock (ROHF) Unrestricted Hartree–Fock (UHF)↑ ↑".
- Hartree–Fock_method wikiPageExternalLink hf-intro.html.
- Hartree–Fock_method wikiPageID "475393".
- Hartree–Fock_method wikiPageLength "22816".
- Hartree–Fock_method wikiPageOutDegree "132".
- Hartree–Fock_method wikiPageRevisionID "676458257".
- Hartree–Fock_method wikiPageWikiLink Ab_initio_quantum_chemistry_methods.
- Hartree–Fock_method wikiPageWikiLink Ansatz.
- Hartree–Fock_method wikiPageWikiLink Atom.
- Hartree–Fock_method wikiPageWikiLink Atomic_configuration_state_function.
- Hartree–Fock_method wikiPageWikiLink Atomic_orbital.
- Hartree–Fock_method wikiPageWikiLink Atomic_structure.
- Hartree–Fock_method wikiPageWikiLink Basis_set_(chemistry).
- Hartree–Fock_method wikiPageWikiLink Bogoliubov_transformation.
- Hartree–Fock_method wikiPageWikiLink Bohr_model.
- Hartree–Fock_method wikiPageWikiLink Born–Oppenheimer_approximation.
- Hartree–Fock_method wikiPageWikiLink Boson.
- Hartree–Fock_method wikiPageWikiLink Calculus_of_variations.
- Hartree–Fock_method wikiPageWikiLink Category:Computational_chemistry.
- Hartree–Fock_method wikiPageWikiLink Category:Electronic_structure_methods.
- Hartree–Fock_method wikiPageWikiLink Category:Quantum_chemistry.
- Hartree–Fock_method wikiPageWikiLink Category:Theoretical_chemistry.
- Hartree–Fock_method wikiPageWikiLink Central_field_approximation.
- Hartree–Fock_method wikiPageWikiLink Clemens_C._J._Roothaan.
- Hartree–Fock_method wikiPageWikiLink Computational_chemistry.
- Hartree–Fock_method wikiPageWikiLink Computational_physics.
- Hartree–Fock_method wikiPageWikiLink Configuration_interaction.
- Hartree–Fock_method wikiPageWikiLink Coulomb_operator.
- Hartree–Fock_method wikiPageWikiLink Coulombs_law.
- Hartree–Fock_method wikiPageWikiLink DIIS.
- Hartree–Fock_method wikiPageWikiLink Density_functional_theory.
- Hartree–Fock_method wikiPageWikiLink Determinant.
- Hartree–Fock_method wikiPageWikiLink Douglas_Hartree.
- Hartree–Fock_method wikiPageWikiLink Eigendecomposition_of_a_matrix.
- Hartree–Fock_method wikiPageWikiLink Electron_correlation.
- Hartree–Fock_method wikiPageWikiLink Electronic_correlation.
- Hartree–Fock_method wikiPageWikiLink Electronic_molecular_Hamiltonian.
- Hartree–Fock_method wikiPageWikiLink Energy_eigenfunction.
- Hartree–Fock_method wikiPageWikiLink Exchange_operator.
- Hartree–Fock_method wikiPageWikiLink Exchange_symmetry.
- Hartree–Fock_method wikiPageWikiLink Expectation_value.
- Hartree–Fock_method wikiPageWikiLink Expected_value.
- Hartree–Fock_method wikiPageWikiLink Fermion.
- Hartree–Fock_method wikiPageWikiLink File:Hartree-Fock.png.
- Hartree–Fock_method wikiPageWikiLink Fixed-point_iteration.
- Hartree–Fock_method wikiPageWikiLink Fock_matrix.
- Hartree–Fock_method wikiPageWikiLink Fock_operator.
- Hartree–Fock_method wikiPageWikiLink Gaussian_orbital.
- Hartree–Fock_method wikiPageWikiLink Generalized_eigenvalue_problem.
- Hartree–Fock_method wikiPageWikiLink George_G._Hall.
- Hartree–Fock_method wikiPageWikiLink Gram–Schmidt_process.
- Hartree–Fock_method wikiPageWikiLink Ground_state.
- Hartree–Fock_method wikiPageWikiLink Group_theory.
- Hartree–Fock_method wikiPageWikiLink Hamiltonian_(quantum_mechanics).
- Hartree–Fock_method wikiPageWikiLink Hartree_equation.
- Hartree–Fock_method wikiPageWikiLink Hartree–Fock.
- Hartree–Fock_method wikiPageWikiLink Hartree–Fock_method.
- Hartree–Fock_method wikiPageWikiLink Hartree–Fock_method_for_atoms.
- Hartree–Fock_method wikiPageWikiLink Hybrid_functional.
- Hartree–Fock_method wikiPageWikiLink Hydrogen_atom.
- Hartree–Fock_method wikiPageWikiLink Identical_particles.
- Hartree–Fock_method wikiPageWikiLink Identity_matrix.
- Hartree–Fock_method wikiPageWikiLink Iteration.
- Hartree–Fock_method wikiPageWikiLink Iterative_method.
- Hartree–Fock_method wikiPageWikiLink John_C._Slater.
- Hartree–Fock_method wikiPageWikiLink John_Pople.
- Hartree–Fock_method wikiPageWikiLink Koopmans_theorem.
- Hartree–Fock_method wikiPageWikiLink Linear_combination.
- Hartree–Fock_method wikiPageWikiLink Linear_combination_of_atomic_orbitals.
- Hartree–Fock_method wikiPageWikiLink List_of_quantum_chemistry_and_solid-state_physics_software.
- Hartree–Fock_method wikiPageWikiLink List_of_quantum_chemistry_and_solid_state_physics_software.
- Hartree–Fock_method wikiPageWikiLink Many-body_problem.
- Hartree–Fock_method wikiPageWikiLink Mean-field_theory.
- Hartree–Fock_method wikiPageWikiLink Mean_field_theory.
- Hartree–Fock_method wikiPageWikiLink Modern_valence_bond.
- Hartree–Fock_method wikiPageWikiLink Modern_valence_bond_theory.
- Hartree–Fock_method wikiPageWikiLink Molecular_Hamiltonian.
- Hartree–Fock_method wikiPageWikiLink Molecular_orbital.
- Hartree–Fock_method wikiPageWikiLink Momentum.
- Hartree–Fock_method wikiPageWikiLink Moseleys_law.
- Hartree–Fock_method wikiPageWikiLink Multi-configurational_self-consistent_field.
- Hartree–Fock_method wikiPageWikiLink Møller–Plesset_perturbation_theory.
- Hartree–Fock_method wikiPageWikiLink Nuclear_physics.
- Hartree–Fock_method wikiPageWikiLink Nuclear_structure.
- Hartree–Fock_method wikiPageWikiLink Numerical_stability.
- Hartree–Fock_method wikiPageWikiLink Old_quantum_theory.
- Hartree–Fock_method wikiPageWikiLink Open_shell.
- Hartree–Fock_method wikiPageWikiLink Orbital_overlap.
- Hartree–Fock_method wikiPageWikiLink Orthogonal.
- Hartree–Fock_method wikiPageWikiLink Orthogonality.
- Hartree–Fock_method wikiPageWikiLink Orthonormal_basis.
- Hartree–Fock_method wikiPageWikiLink Overlap_matrix.
- Hartree–Fock_method wikiPageWikiLink Particle_statistics.
- Hartree–Fock_method wikiPageWikiLink Pauli_exclusion_principle.
- Hartree–Fock_method wikiPageWikiLink Permanent.
- Hartree–Fock_method wikiPageWikiLink Perturbation_theory.
- Hartree–Fock_method wikiPageWikiLink Post-Hartree–Fock.
- Hartree–Fock_method wikiPageWikiLink Principal_quantum_number.
- Hartree–Fock_method wikiPageWikiLink Quadratic_configuration_interaction.
- Hartree–Fock_method wikiPageWikiLink Quantum_chemistry.