Statements (18)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
computational method
|
| gptkbp:basedOn |
Projector Augmented Wave method
|
| gptkbp:developedBy |
Chris J. Pickard
Francesco Mauri |
| gptkbp:enables |
calculation of NMR chemical shifts in periodic systems
|
| gptkbp:fullName |
Gauge Including Projector Augmented Wave method
|
| https://www.w3.org/2000/01/rdf-schema#label |
GIPAW method
|
| gptkbp:implementedIn |
gptkb:CASTEP
gptkb:Quantum_ESPRESSO |
| gptkbp:publicationYear |
2001
|
| gptkbp:publishedIn |
gptkb:Physical_Review_B
|
| gptkbp:relatedTo |
gptkb:Density_Functional_Theory
NMR spectroscopy |
| gptkbp:usedFor |
calculation of NMR parameters
|
| gptkbp:usedIn |
quantum chemistry
solid-state physics |
| gptkbp:bfsParent |
gptkb:QE-GIPAW
|
| gptkbp:bfsLayer |
7
|