generalized gradient approximation
GPTKB entity
Statements (14)
Predicate | Object |
---|---|
gptkbp:instanceOf |
approximation method
|
gptkbp:abbreviation |
gptkb:GGA
|
gptkbp:appliesTo |
condensed matter physics
quantum chemistry |
gptkbp:considers |
electron density gradient
|
gptkbp:developedBy |
1980s
|
https://www.w3.org/2000/01/rdf-schema#label |
generalized gradient approximation
|
gptkbp:improves |
gptkb:local_density_approximation
|
gptkbp:notableVariant |
gptkb:PBE
gptkb:PW91 |
gptkbp:usedFor |
exchange-correlation energy
|
gptkbp:usedIn |
gptkb:density_functional_theory
|
gptkbp:bfsParent |
gptkb:density_functional_theory
|
gptkbp:bfsLayer |
5
|