Secular equation
Term · Chemistry · MLC-T-CHM-010646
A mathematical equation that arises in quantum mechanics, particularly in the context of molecular orbital theory, when solving for the energy eigenvalues of a system. It is derived from the time-independent Schrödinger equation and is typically expressed as a determinant set to zero. The roots of this equation correspond to the allowed energy levels of the molecular orbitals.
| Identifier | MLC-T-CHM-010646 |
|---|---|
| Field | Chemistry |
| Subject | Organic and Biomolecular Chemistry |
| References | PAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1962 (https://doi.org/10.1351/pac199971101919) |
| See also | Molecular orbital |
Record as JSON
{
"id": "MLC-T-CHM-010646",
"term": "Secular equation",
"field": "Chemistry",
"definition": "A mathematical equation that arises in quantum mechanics, particularly in the context of molecular orbital theory, when solving for the energy eigenvalues of a system. It is derived from the time-independent Schrödinger equation and is typically expressed as a determinant set to zero. The roots of this equation correspond to the allowed energy levels of the molecular orbitals.",
"subject": "Organic and Biomolecular Chemistry",
"see_also": [
"molecular orbital"
],
"references": [
"PAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1962 (https://doi.org/10.1351/pac199971101919)"
],
"url": "https://mlchart.com/terminology/chemistry/secular-equation/"
}
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