Self-Consistent Field method
GPTKB entity
Statements (22)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
computational method
|
| gptkbp:alsoKnownAs |
SCF method
|
| gptkbp:appliesTo |
many-electron systems
|
| gptkbp:basisFor |
mean field approximation
|
| gptkbp:category |
numerical analysis
theoretical chemistry |
| gptkbp:developedBy |
1930s
|
| https://www.w3.org/2000/01/rdf-schema#label |
Self-Consistent Field method
|
| gptkbp:involves |
gptkb:Fock_matrix
convergence criteria iterative procedure wavefunction optimization |
| gptkbp:output |
self-consistent solution
|
| gptkbp:relatedTo |
gptkb:Density_Functional_Theory
gptkb:Hartree-Fock_method |
| gptkbp:requires |
initial guess of wavefunction
|
| gptkbp:usedFor |
approximating electronic structure
solving the Hartree-Fock equations |
| gptkbp:usedIn |
computational physics
quantum chemistry |
| gptkbp:bfsParent |
gptkb:Restricted_Hartree-Fock
|
| gptkbp:bfsLayer |
7
|