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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.

Table 1. Record
IdentifierMLC-T-CHM-005107
FieldChemistry
SubjectOrganic and Biomolecular Chemistry
ReferencesPAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1941 (https://doi.org/10.1351/pac199971101919)
See alsoEquilibrium 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/"
}

Record 5,414 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.