Counterpoise correction

{
  "id": "MLC-T-CHM-002640",
  "term": "Counterpoise correction",
  "field": "Chemistry",
  "definition": "A computational method used to correct for the basis set superposition error (BSSE) in quantum chemical calculations of intermolecular interaction energies. The BSSE is an artifact that arises when using incomplete, atom-centered basis sets, causing an artificial lowering of the energy of a molecular complex. The correction is calculated by evaluating the energies of the individual monomers with the full basis set of the entire complex.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "basis set superposition error"
  ],
  "references": [
    "PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 244 (https://doi.org/10.1515/pac-2012-1204)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/counterpoise-correction/"
}