Harmonic approximation
Term · Chemistry · MLC-T-CHM-005107
A simplification in molecular mechanics and quantum chemistry where the potential energy surface around an equilibrium geometry is modeled as a parabolic function. This approximation treats molecular vibrations as simple harmonic oscillators. It is often used to calculate vibrational frequencies and zero-point energies of molecules.
| Identifier | MLC-T-CHM-005107 |
|---|---|
| Field | Chemistry |
| Subject | Organic and Biomolecular Chemistry |
| References | PAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1941 (https://doi.org/10.1351/pac199971101919) |
| See also | Equilibrium geometry |
Record as JSON
{
"id": "MLC-T-CHM-005107",
"term": "Harmonic approximation",
"field": "Chemistry",
"definition": "A simplification in molecular mechanics and quantum chemistry where the potential energy surface around an equilibrium geometry is modeled as a parabolic function. This approximation treats molecular vibrations as simple harmonic oscillators. It is often used to calculate vibrational frequencies and zero-point energies of molecules.",
"subject": "Organic and Biomolecular Chemistry",
"see_also": [
"equilibrium geometry"
],
"references": [
"PAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1941 (https://doi.org/10.1351/pac199971101919)"
],
"url": "https://mlchart.com/terminology/chemistry/harmonic-approximation/"
}
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