Coupled Cluster Theory

URI: https://gptkb.org/entity/Coupled_Cluster_Theory

GPTKB entity

Predicate	Object
gptkbp:instanceOf	gptkb: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
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
https://www.w3.org/2000/01/rdf-schema#label	Coupled Cluster Theory