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Coupled cluster method

Term · Chemistry · MLC-T-CHM-002646

A highly accurate ab initio quantum chemistry method used to describe the electron correlation in a molecular system. It approximates the exact many-electron wavefunction as an exponential of a cluster operator acting on a reference determinant, typically the Hartree-Fock determinant. This method is widely used for calculating molecular energies and properties with high precision.

Table 1. Record
IdentifierMLC-T-CHM-002646
FieldChemistry
SubjectOrganic and Biomolecular Chemistry
SynonymsCC method
ReferencesPAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1932 (https://doi.org/10.1351/pac199971101919)
See alsoElectron correlation
Record as JSON
{
  "id": "MLC-T-CHM-002646",
  "term": "Coupled cluster method",
  "field": "Chemistry",
  "definition": "A highly accurate ab initio quantum chemistry method used to describe the electron correlation in a molecular system. It approximates the exact many-electron wavefunction as an exponential of a cluster operator acting on a reference determinant, typically the Hartree-Fock determinant. This method is widely used for calculating molecular energies and properties with high precision.",
  "synonyms": [
    "CC method"
  ],
  "subject": "Organic and Biomolecular Chemistry",
  "see_also": [
    "electron correlation"
  ],
  "references": [
    "PAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1932 (https://doi.org/10.1351/pac199971101919)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/coupled-cluster-method/"
}

Record 2,812 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.