Natural atomic orbital

{
  "id": "MLC-T-CHM-007771",
  "term": "Natural atomic orbital",
  "field": "Chemistry",
  "definition": "A set of localized atomic orbitals derived from a molecular wave function through a transformation that maximizes their occupancy. These orbitals provide a chemically intuitive description of bonding and lone pairs within a molecule. Natural atomic orbitals are used in natural bond orbital (NBO) analysis to understand electron delocalization and intermolecular interactions.",
  "subject": "Organic and Biomolecular Chemistry",
  "see_also": [
    "block",
    "electron density",
    "valence"
  ],
  "references": [
    "PAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1954 (https://doi.org/10.1351/pac199971101919)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/natural-atomic-orbital/"
}