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.
| Identifier | MLC-T-CHM-007680 |
|---|---|
| Field | Chemistry |
| Subject | Organic and Biomolecular Chemistry |
| 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) |
| See also | Multiconfiguration 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.