restricted Hartree-Fock

GPTKB entity

Statements (18)
Predicate Object
gptkbp:instanceOf quantum chemistry method
gptkbp:abbreviation gptkb:RHF
gptkbp:appliesTo singlet ground states
gptkbp:assumes paired electrons in spatial orbitals
gptkbp:basisFor gptkb:post-Hartree-Fock_methods
gptkbp:computes molecular orbitals
gptkbp:contrastsWith gptkb:unrestricted_Hartree-Fock
generalized Hartree-Fock
gptkbp:developedBy gptkb:Hartree-Fock_method
gptkbp:energy_calculated_by self-consistent field procedure
gptkbp:firstDescribed 1930s
https://www.w3.org/2000/01/rdf-schema#label restricted Hartree-Fock
gptkbp:limitation cannot describe open-shell systems accurately
does not account for electron correlation
gptkbp:used_in computational chemistry
gptkbp:usedFor closed-shell molecules
gptkbp:bfsParent gptkb:Generalized_Hartree-Fock
gptkbp:bfsLayer 7