Statements (23)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
quantum chemistry method
|
| gptkbp:abbreviation |
gptkb:RHF
|
| gptkbp:assumes |
closed-shell systems
paired electrons |
| gptkbp:basisFor |
single Slater determinant
|
| gptkbp:category |
ab initio method
|
| gptkbp:computes |
ground state energy
|
| gptkbp:contrastsWith |
gptkb:Generalized_Hartree-Fock
gptkb:Unrestricted_Hartree-Fock |
| gptkbp:developedBy |
gptkb:Hartree-Fock_method
|
| gptkbp:firstDescribed |
1930s
|
| gptkbp:form |
gptkb:Fock_operator
|
| https://www.w3.org/2000/01/rdf-schema#label |
Restricted Hartree-Fock
|
| gptkbp:limitation |
cannot describe spin polarization
not suitable for open-shell systems |
| gptkbp:relatedTo |
gptkb:Self-Consistent_Field_method
Molecular Orbital Theory |
| gptkbp:solvedBy |
gptkb:Roothaan_equations
|
| gptkbp:usedAs |
starting point for post-Hartree-Fock methods
|
| gptkbp:usedFor |
electronic structure calculation
|
| gptkbp:usedIn |
computational chemistry
|
| gptkbp:bfsParent |
gptkb:Hartree-Fock_method
|
| gptkbp:bfsLayer |
6
|