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A variational single-Slater-determinant method including exchange exactly within that determinant but omitting correlation beyond it.
wp-physics-hartree_fock_methodnist-atomic-wavefunctionsEach relation below ends at this concept.
This is an authored directed relation from the source endpoint to the target endpoint.
Hartree–Fock is an ab initio mean-field method and a reference for many correlated wavefunction approaches.
The target is a member or subtype of the broader source class.
wp-chem-quantum-chemistryiupac-green-booknist-chemistry-webbookThis is an authored directed relation from the source endpoint to the target endpoint.
In a basis-set Hartree–Fock calculation, molecular orbitals are expanded in selected basis functions; basis incompleteness and the mean-field approximation are separate error sources.
The source supplies a substantive formal ingredient, dynamical sector, law, field content, or mechanism of the target theoretical framework.
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Hartree–Fock approximates the many-electron state by an optimized Slater determinant and omits correlation beyond exchange.
The target is a model, idealization, restricted ansatz, approximation scheme, phenomenological fit, or historical representation used for the source system or theory. It need not have a universal small error parameter and is not thereby a controlled limit or effective theory. The edge label and detail must identify the precise status.
wp-chem-quantum-chemistryiupac-green-booknist-chemistry-webbookThis is an authored directed relation from the source endpoint to the target endpoint.
Hartree–Fock replaces the Hartree product by a variational Slater determinant and thereby includes exchange while still omitting correlation beyond one determinant.
A more specific theory, model, entity class, or regime is obtained by restricting or extending the scope of a broader framework.
wp-physics-hartree_fock_methodnist-atomic-wavefunctionsThis is an authored directed relation from the source endpoint to the target endpoint.
Hartree–Fock is a variational restriction to a single Slater determinant; it gives an upper bound within that ansatz but omits correlation beyond the determinant and is not generally controlled by a universal small parameter.
The target is a model, idealization, restricted ansatz, approximation scheme, phenomenological fit, or historical representation used for the source system or theory. It need not have a universal small error parameter and is not thereby a controlled limit or effective theory. The edge label and detail must identify the precise status.
wp-physics-hartree_fock_methodnist-atomic-wavefunctionswp-physics-atomic_hamiltoniannist-atomic-spectroscopyEach relation below starts at this concept.
This is an authored directed relation from the source endpoint to the target endpoint.
Configuration interaction expands beyond one Hartree–Fock determinant using selected excited determinants or configuration-state functions in a finite basis.
A more specific theory, model, entity class, or regime is obtained by restricting or extending the scope of a broader framework.
wp-physics-configuration_interaction_methodnist-atomic-wavefunctionsThis is an authored directed relation from the source endpoint to the target endpoint.
Coupled-cluster theory builds an exponential correlated ansatz, commonly from a Hartree–Fock reference; truncation such as CCSD defines the practical approximation.
A more specific theory, model, entity class, or regime is obtained by restricting or extending the scope of a broader framework.
wp-physics-coupled_cluster_methodnist-atomic-wavefunctionsThis is an authored directed relation from the source endpoint to the target endpoint.
Electron correlation is conventionally the difference between the exact nonrelativistic solution and the Hartree–Fock limit for the same Hamiltonian.
The target represents a state, property, observable, or state-dependent description associated with the source system or theory.
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