Statements (35)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
quantum chemistry method
|
| gptkbp:abbreviation |
CC theory
|
| gptkbp:appliesTo |
solids
atoms molecules |
| gptkbp:basedOn |
exponential ansatz
|
| gptkbp:citation |
Cizek, J. (1966). J. Chem. Phys. 45, 4256.
Coester, F. (1958). Nucl. Phys. 7, 421. Bartlett, R. J. (1981). Annu. Rev. Phys. Chem. 32, 359. |
| gptkbp:developedBy |
gptkb:Fritz_Coester
gptkb:Hermann_Kümmel |
| gptkbp:estimatedCost |
correlation energy
|
| gptkbp:hasVariant |
gptkb:CC3
gptkb:CC2 gptkb:CCSD(T) gptkb:CCSDT gptkb:CCSD |
| https://www.w3.org/2000/01/rdf-schema#label |
Coupled Cluster Theory
|
| gptkbp:implementedIn |
gptkb:Molpro
gptkb:Psi4 gptkb:Q-Chem gptkb:NWChem gptkb:ORCA gptkb:Gaussian_software |
| gptkbp:introducedIn |
1960
|
| gptkbp:knownFor |
high accuracy
size extensivity systematic improvability |
| gptkbp:relatedTo |
configuration interaction
many-body theory |
| gptkbp:usedFor |
electronic structure calculations
|
| gptkbp:usedIn |
gptkb:quantum_physics
computational chemistry |
| gptkbp:bfsParent |
gptkb:Configuration_Interaction
|
| gptkbp:bfsLayer |
7
|