Statements (18)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
basis set
|
| gptkbp:basisSetSize |
double-zeta
|
| gptkbp:basisSetType |
Gaussian-type orbital
|
| gptkbp:contains |
diffuse functions
|
| gptkbp:developedBy |
gptkb:Thom_H._Dunning_Jr.
|
| https://www.w3.org/2000/01/rdf-schema#label |
aug-cc-pVDZ
|
| gptkbp:partOf |
aug-cc-pVnZ family
|
| gptkbp:publishedIn |
J. Chem. Phys. 90, 1007 (1989)
|
| gptkbp:relatedTo |
gptkb:aug-cc-pVTZ
gptkb:cc-pVDZ |
| gptkbp:standsFor |
augmented correlation-consistent polarized valence double-zeta
|
| gptkbp:usedFor |
correlated wavefunction methods
molecular property calculations atoms H through Ar high-accuracy electronic structure calculations |
| gptkbp:usedIn |
quantum chemistry
|
| gptkbp:bfsParent |
gptkb:Dunning_basis_sets
|
| gptkbp:bfsLayer |
8
|