Statements (19)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
hybrid functional
|
| gptkbp:alternativeTo |
gptkb:B3LYP
PBE0 |
| gptkbp:appliesTo |
quantum chemistry
solid-state physics |
| gptkbp:basedOn |
gptkb:PBE_functional
|
| gptkbp:category |
screened hybrid functional
|
| gptkbp:developedBy |
Heyd, Scuseria, and Ernzerhof
|
| https://www.w3.org/2000/01/rdf-schema#label |
HSE06
|
| gptkbp:improves |
band gap prediction
thermochemical accuracy |
| gptkbp:parameter |
mixing parameter (25% exact exchange)
screening parameter (0.2 Å⁻¹) |
| gptkbp:publicationYear |
2003
|
| gptkbp:publishedIn |
gptkb:Journal_of_Chemical_Physics
|
| gptkbp:usedIn |
gptkb:density_functional_theory
|
| gptkbp:uses |
screened Coulomb potential
|
| gptkbp:bfsParent |
gptkb:Density_Functional_Theory
|
| gptkbp:bfsLayer |
7
|