Basis function

{
  "id": "MLC-T-CHM-001133",
  "term": "Basis function",
  "field": "Chemistry",
  "definition": "A mathematical function centered on an atom, used as a building block to construct molecular orbitals in quantum chemical calculations. These functions are combined in a linear fashion to approximate the wavefunctions of electrons within a molecule. Common forms include Slater-type orbitals, which closely resemble hydrogenic atomic orbitals, and Gaussian-type orbitals, which are computationally easier to handle in multicenter integral calculations.",
  "subject": "Organic and Biomolecular Chemistry",
  "see_also": [
    "Slater-type orbital",
    "molecular orbital"
  ],
  "references": [
    "PAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1925 (https://doi.org/10.1351/pac199971101919)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/basis-function/"
}