Statements (27)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
density functional
|
| gptkbp:abbreviation |
PBEsol
|
| gptkbp:basedOn |
gptkb:PBE_functional
|
| gptkbp:category |
gptkb:density_functional_theory
|
| gptkbp:citation |
high in computational materials science
|
| gptkbp:developedBy |
gptkb:John_P._Perdew
Adrienn Ruzsinszky Gustavo E. Scuseria Gábor I. Csonka Lucian A. Constantin Oleg A. Vydrov |
| gptkbp:doi |
10.1103/PhysRevLett.100.136406
|
| gptkbp:fullName |
Perdew–Burke–Ernzerhof revised for solids
|
| https://www.w3.org/2000/01/rdf-schema#label |
PBEsol functional
|
| gptkbp:improves |
lattice constants prediction
surface energies prediction |
| gptkbp:introducedIn |
2008
|
| gptkbp:publishedIn |
gptkb:Physical_Review_Letters
|
| gptkbp:purpose |
improve equilibrium properties of densely-packed solids and surfaces
|
| gptkbp:type |
gptkb:generalized_gradient_approximation
|
| gptkbp:usedBy |
gptkb:WIEN2k
gptkb:ABINIT gptkb:Quantum_ESPRESSO gptkb:VASP |
| gptkbp:usedIn |
gptkb:density_functional_theory
|
| gptkbp:bfsParent |
gptkb:Perdew–Burke–Ernzerhof_functional
|
| gptkbp:bfsLayer |
7
|