|
gptkbp:instanceOf
|
gptkb:quantum_chemistry_method
|
|
gptkbp:assumes
|
single reference wavefunction
|
|
gptkbp:basedOn
|
exponential ansatz
|
|
gptkbp:category
|
gptkb:post-Hartree–Fock_method
ab initio method
|
|
gptkbp:citation
|
gptkb:Cizek,_J._(1966)._Journal_of_Chemical_Physics.
gptkb:Coester,_F.;_Kümmel,_H._(1960)._Nuclear_Physics.
|
|
gptkbp:developedBy
|
gptkb:Fritz_Coester
gptkb:Hermann_Kümmel
|
|
gptkbp:estimatedCost
|
gptkb:Schrödinger_equation
|
|
gptkbp:hasVariant
|
gptkb:CC3
gptkb:CC2
gptkb:CCSD(T)
gptkb:CCSDT
gptkb:CCSD
|
|
gptkbp:implementedIn
|
gptkb:Molpro
gptkb:Psi4
gptkb:Q-Chem
gptkb:NWChem
gptkb:Gaussian
gptkb:ORCA
|
|
gptkbp:introducedIn
|
1958
|
|
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:Hartree-Fock_method
|
|
gptkbp:bfsLayer
|
7
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
Coupled Cluster theory
|