Statements (13)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
computational physics concept
|
| gptkbp:affects |
calculated pressure
|
| gptkbp:describes |
artificial stress in calculations due to incomplete basis sets
|
| https://www.w3.org/2000/01/rdf-schema#label |
Pulay stress
|
| gptkbp:namedAfter |
gptkb:Peter_Pulay
|
| gptkbp:occurredIn |
first-principles calculations
|
| gptkbp:reduces |
increasing basis set size
|
| gptkbp:relatedTo |
gptkb:density_functional_theory
geometry optimization plane-wave basis sets equation of state calculations |
| gptkbp:bfsParent |
gptkb:Peter_Pulay
|
| gptkbp:bfsLayer |
7
|