Perdew–Burke–Ernzerhof functional
GPTKB entity
Statements (23)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:density_functional_theory
|
| gptkbp:abbreviation |
gptkb:PBE_functional
|
| gptkbp:basisFor |
gptkb:PBE0_functional
gptkb:PBEsol_functional gptkb:RPBE_functional gptkb:revPBE_functional |
| gptkbp:citation |
gptkb:Becke_1988_functional
gptkb:Lee–Yang–Parr_functional |
| gptkbp:commonIn |
materials science
quantum chemistry solid-state physics |
| gptkbp:developedBy |
gptkb:Kieron_Burke
gptkb:John_Perdew gptkb:Matthias_Ernzerhof |
| gptkbp:field |
gptkb:density_functional_theory
|
| https://www.w3.org/2000/01/rdf-schema#label |
Perdew–Burke–Ernzerhof functional
|
| gptkbp:introducedIn |
1996
|
| gptkbp:notableFor |
balance between accuracy and computational cost
|
| gptkbp:publishedIn |
gptkb:Physical_Review_Letters
|
| gptkbp:type |
gptkb:generalized_gradient_approximation
|
| gptkbp:usedFor |
electronic structure calculations
|
| gptkbp:bfsParent |
gptkb:John_P._Perdew
|
| gptkbp:bfsLayer |
6
|