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Multireference configuration interaction

Term · Chemistry · MLC-T-CHM-007680

A computational quantum chemistry method that describes the electronic wave function as a linear combination of multiple reference configurations, which are typically generated from a multiconfiguration self-consistent field (MCSCF) calculation. This approach accounts for dynamic and static electron correlation by including excitations from these multiple reference states. It is particularly effective for systems where a single determinant cannot adequately describe the electronic structure, such as bond dissociation or excited states.

Table 1. Record
IdentifierMLC-T-CHM-007680
FieldChemistry
SubjectOrganic and Biomolecular Chemistry
ReferencesPAC, 2007, 79, 293. 'Glossary of terms used in photochemistry, 3rd edition (IUPAC Recommendations 2006)' on page 373 (https://doi.org/10.1351/pac200779030293)
See alsoMulticonfiguration SCF method
Record as JSON
{
  "id": "MLC-T-CHM-007680",
  "term": "Multireference configuration interaction",
  "field": "Chemistry",
  "definition": "A computational quantum chemistry method that describes the electronic wave function as a linear combination of multiple reference configurations, which are typically generated from a multiconfiguration self-consistent field (MCSCF) calculation. This approach accounts for dynamic and static electron correlation by including excitations from these multiple reference states. It is particularly effective for systems where a single determinant cannot adequately describe the electronic structure, such as bond dissociation or excited states.",
  "subject": "Organic and Biomolecular Chemistry",
  "see_also": [
    "multiconfiguration SCF method"
  ],
  "references": [
    "PAC, 2007, 79, 293. 'Glossary of terms used in photochemistry, 3rd edition (IUPAC Recommendations 2006)' on page 373 (https://doi.org/10.1351/pac200779030293)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/multireference-configuration-interaction/"
}

Record 8,146 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.