Hartree–Fock method

URI: https://gptkb.org/entity/Hartree–Fock_method
GPTKB entity
AI-created image of Hartree–Fock method
AI-created image
Statements (28)
Predicate Object
gptkbp:instanceOf computational chemistry method
quantum chemistry method
gptkbp:assumes independent particle approximation
gptkbp:basisFor gptkb:Slater_determinant
gptkbp:category ab initio quantum chemistry methods
gptkbp:computes molecular orbitals
gptkbp:describes many-electron systems
gptkbp:estimatedCost gptkb:Schrödinger_equation
gptkbp:field computational physics
quantum chemistry
gptkbp:generalizes gptkb:post-Hartree–Fock_methods
https://www.w3.org/2000/01/rdf-schema#label Hartree–Fock method
gptkbp:ignores electron correlation
gptkbp:introducedIn 1928
gptkbp:limitation computationally expensive for large systems
does not account for dynamic electron correlation
gptkbp:namedAfter gptkb:Douglas_Hartree
gptkb:Vladimir_Fock
gptkbp:relatedTo gptkb:Møller–Plesset_perturbation_theory
gptkb:density_functional_theory
configuration interaction
gptkbp:solvedBy gptkb:Fock_equations
gptkbp:usedFor atomic structure calculation
energy calculation
molecular structure calculation
gptkbp:uses self-consistent field approach
gptkbp:bfsParent gptkb:Douglas_Hartree
gptkbp:bfsLayer 3