GGA (Generalized Gradient Approximation)
GPTKB entity
Statements (18)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:density_functional_theory
|
| gptkbp:basisFor |
gptkb:meta-GGA_functionals
|
| gptkbp:category |
approximate functional
|
| gptkbp:considers |
electron density gradient
|
| gptkbp:developedBy |
1980s
|
| gptkbp:example |
gptkb:PBE_functional
BLYP functional PW91 functional |
| https://www.w3.org/2000/01/rdf-schema#label |
GGA (Generalized Gradient Approximation)
|
| gptkbp:improves |
gptkb:local_density_approximation
|
| gptkbp:provides |
better accuracy than LDA
|
| gptkbp:relatedTo |
gptkb:Kohn-Sham_equations
|
| gptkbp:usedBy |
chemists
physicists |
| gptkbp:usedFor |
electronic structure calculations
|
| gptkbp:usedIn |
gptkb:density_functional_theory
|
| gptkbp:bfsParent |
gptkb:Density_Functional_Theory
|
| gptkbp:bfsLayer |
7
|