Statements (18)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
density functional
|
| gptkbp:basedOn |
gptkb:PBE_functional
|
| gptkbp:category |
gptkb:generalized_gradient_approximation
|
| gptkbp:citation |
Burke, K., et al. Phys. Rev. Lett. 77, 3865 (1996)
|
| gptkbp:developedBy |
gptkb:John_P._Perdew
gptkb:Kieron_Burke gptkb:Matthias_Ernzerhof |
| gptkbp:fullName |
revised Perdew–Burke–Ernzerhof functional
|
| https://www.w3.org/2000/01/rdf-schema#label |
revPBE functional
|
| gptkbp:improves |
gptkb:PBE_functional
|
| gptkbp:introducedIn |
1998
|
| gptkbp:notableFor |
better performance for molecular adsorption energies
improved description of exchange energy |
| gptkbp:usedIn |
gptkb:density_functional_theory
computational chemistry materials science |
| gptkbp:bfsParent |
gptkb:Perdew–Burke–Ernzerhof_functional
|
| gptkbp:bfsLayer |
7
|