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- Coupled_cluster abstract "Coupled cluster (CC) is a numerical technique used for describing many-body systems. Its most common use is as one of several post-Hartree–Fock ab initio quantum chemistry methods in the field of computational chemistry. It essentially takes the basic Hartree–Fock molecular orbital method and constructs multi-electron wavefunctions using the exponential cluster operator to account for electron correlation. Some of the most accurate calculations for small to medium sized molecules use this method.The method was initially developed by Fritz Coester and Hermann Kümmel in the 1950s for studying nuclear physics phenomena, but became more frequently used when in 1966 Jiři Čížek (and later together with Josef Paldus) reformulated the method for electron correlation in atoms and molecules. It is now one of the most prevalent methods in quantum chemistry that includes electronic correlation.CC theory is simply the perturbative variant of the Many Electron Theory (MET) of Oktay Sinanoğlu, which is the exact (and variational) solution of the many electron problem, so it was also called "Coupled Pair MET (CPMET)". J. Čížek used the correlation function of MET and used Goldstone type perturbation theory to get the energy expression while original MET was completely variational. Čížek first developed the Linear-CPMET and then generalized it to full CPMET in the same paper in 1966. He then also performed an application of it on benzene molecule with O. Sinanoğlu in the same year. Because MET is somewhat difficult to perform computationally, CC is simpler and thus, in today's computational chemistry, CC is the best variant of MET and gives highly accurate results in comparison to experiments.".
- Coupled_cluster wikiPageID "429789".
- Coupled_cluster wikiPageRevisionID "599900036".
- Coupled_cluster hasPhotoCollection Coupled_cluster.
- Coupled_cluster subject Category:Electronic_structure_methods.
- Coupled_cluster subject Category:Post-Hartree–Fock_methods.
- Coupled_cluster subject Category:Quantum_chemistry.
- Coupled_cluster type Ability105616246.
- Coupled_cluster type Abstraction100002137.
- Coupled_cluster type Cognition100023271.
- Coupled_cluster type Know-how105616786.
- Coupled_cluster type Method105660268.
- Coupled_cluster type Post-Hartree%E2%80%93FockMethods.
- Coupled_cluster type PsychologicalFeature100023100.
- Coupled_cluster comment "Coupled cluster (CC) is a numerical technique used for describing many-body systems. Its most common use is as one of several post-Hartree–Fock ab initio quantum chemistry methods in the field of computational chemistry. It essentially takes the basic Hartree–Fock molecular orbital method and constructs multi-electron wavefunctions using the exponential cluster operator to account for electron correlation.".
- Coupled_cluster label "Coupled cluster".
- Coupled_cluster label "Metodo Coupled Cluster".
- Coupled_cluster label "Méthode du cluster couplé".
- Coupled_cluster label "耦合簇方法".
- Coupled_cluster label "連結クラスター法".
- Coupled_cluster sameAs Méthode_du_cluster_couplé.
- Coupled_cluster sameAs Metodo_Coupled_Cluster.
- Coupled_cluster sameAs 連結クラスター法.
- Coupled_cluster sameAs m.027jny.
- Coupled_cluster sameAs Q1117940.
- Coupled_cluster sameAs Q1117940.
- Coupled_cluster sameAs Coupled_cluster.
- Coupled_cluster wasDerivedFrom Coupled_cluster?oldid=599900036.
- Coupled_cluster isPrimaryTopicOf Coupled_cluster.