Statements (15)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:density_functional_theory
|
| gptkbp:abbreviation |
gptkb:B88
|
| gptkbp:basisFor |
gradient of electron density
|
| gptkbp:category |
exchange functional
|
| gptkbp:citation |
Becke, A. D. (1988). Phys. Rev. A, 38, 3098-3100.
|
| gptkbp:component |
B3LYP functional
B3PW91 functional |
| gptkbp:developedBy |
Axel D. Becke
|
| https://www.w3.org/2000/01/rdf-schema#label |
Becke 1988 functional
|
| gptkbp:improves |
exchange energy calculation
|
| gptkbp:publicationYear |
1988
|
| gptkbp:type |
gptkb:generalized_gradient_approximation
|
| gptkbp:usedIn |
gptkb:density_functional_theory
|
| gptkbp:bfsParent |
gptkb:Perdew–Burke–Ernzerhof_functional
|
| gptkbp:bfsLayer |
7
|