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Born-Oppenheimer approximation

Term · Chemistry · MLC-T-CHM-012933

A fundamental approximation in quantum chemistry that simplifies the Schrödinger equation for molecules by separating the electronic and nuclear motions. It assumes that atomic nuclei are much heavier than electrons and thus move much slower, allowing the electronic wavefunction to be calculated for fixed nuclear positions. This approximation is valid for most molecules under normal conditions, but breaks down in cases like the Jahn-Teller effect.

Table 1. Record
IdentifierMLC-T-CHM-012933
FieldChemistry
SubjectOrganic and Biomolecular Chemistry
SynonymsBO approximation
ReferencesPAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1929 (https://doi.org/10.1351/pac199971101919)
See alsoJahn-Teller effect; Adiabatic; Wavefunction
Record as JSON
{
  "id": "MLC-T-CHM-012933",
  "term": "Born-Oppenheimer approximation",
  "field": "Chemistry",
  "definition": "A fundamental approximation in quantum chemistry that simplifies the Schrödinger equation for molecules by separating the electronic and nuclear motions. It assumes that atomic nuclei are much heavier than electrons and thus move much slower, allowing the electronic wavefunction to be calculated for fixed nuclear positions. This approximation is valid for most molecules under normal conditions, but breaks down in cases like the Jahn-Teller effect.",
  "synonyms": [
    "BO approximation"
  ],
  "subject": "Organic and Biomolecular Chemistry",
  "see_also": [
    "Jahn-Teller effect",
    "adiabatic",
    "wavefunction"
  ],
  "references": [
    "PAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1929 (https://doi.org/10.1351/pac199971101919)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/born-oppenheimer-approximation/"
}

Record 1,542 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.