Statements (19)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
density functional
|
| gptkbp:basedOn |
gptkb:PBE_functional
|
| gptkbp:citation |
Hammer, B., Hansen, L. B., & Nørskov, J. K. (1999). Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals. Physical Review B, 59(11), 7413.
|
| gptkbp:developedBy |
gptkb:John_P._Perdew
gptkb:Kieron_Burke Bengt I. Lundqvist Yoshio Zhang |
| gptkbp:field |
gptkb:density_functional_theory
computational chemistry |
| gptkbp:fullName |
Revised Perdew–Burke–Ernzerhof functional
|
| https://www.w3.org/2000/01/rdf-schema#label |
RPBE functional
|
| gptkbp:introducedIn |
1999
|
| gptkbp:purpose |
improve adsorption energy calculations
|
| gptkbp:type |
GGA functional
|
| gptkbp:usedIn |
materials science
quantum chemistry surface science |
| gptkbp:bfsParent |
gptkb:Perdew–Burke–Ernzerhof_functional
|
| gptkbp:bfsLayer |
7
|