Zero differential overlap approximation
Term · Chemistry · MLC-T-CHM-012796
A simplifying assumption used in semi-empirical molecular orbital calculations, where all two-electron integrals involving differential overlap between atomic orbitals on different atoms are set to zero. This approximation significantly reduces the computational cost of calculating electron repulsion integrals. It is a cornerstone of methods like CNDO (Complete Neglect of Differential Overlap) and INDO (Intermediate Neglect of Differential Overlap).
| Identifier | MLC-T-CHM-012796 |
|---|---|
| Field | Chemistry |
| Subject | Organic and Biomolecular Chemistry |
| Synonyms | ZDO approximation |
| References | PAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1970 (https://doi.org/10.1351/pac199971101919) |
| See also | Molecular orbital; Overlap integral |
Record as JSON
{
"id": "MLC-T-CHM-012796",
"term": "Zero differential overlap approximation",
"field": "Chemistry",
"definition": "A simplifying assumption used in semi-empirical molecular orbital calculations, where all two-electron integrals involving differential overlap between atomic orbitals on different atoms are set to zero. This approximation significantly reduces the computational cost of calculating electron repulsion integrals. It is a cornerstone of methods like CNDO (Complete Neglect of Differential Overlap) and INDO (Intermediate Neglect of Differential Overlap).",
"synonyms": [
"ZDO approximation"
],
"subject": "Organic and Biomolecular Chemistry",
"see_also": [
"molecular orbital",
"overlap integral"
],
"references": [
"PAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1970 (https://doi.org/10.1351/pac199971101919)"
],
"url": "https://mlchart.com/terminology/chemistry/zero-differential-overlap-approximation/"
}
Record 13,644 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.