Basis set

{
  "id": "MLC-T-CHM-012918",
  "term": "Basis set",
  "field": "Chemistry",
  "definition": "A collection of mathematical functions used to represent the atomic orbitals in quantum chemical calculations. These functions are combined linearly to form molecular orbitals, which describe the electronic structure of a molecule. The choice of basis set significantly impacts the accuracy and computational cost of a calculation, with larger basis sets providing more accurate results.",
  "subject": "Organic and Biomolecular Chemistry",
  "see_also": [
    "angular momentum",
    "basis function",
    "ground state",
    "valence"
  ],
  "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-set/"
}