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Pariser-Parr-Pople method

Term · Chemistry · MLC-T-CHM-008474

A semi-empirical molecular orbital method used in quantum chemistry to calculate the electronic structure of pi-electron systems, particularly in conjugated organic molecules. It simplifies the full Hamiltonian by neglecting certain electron repulsion integrals and approximating others. This method is primarily applied to planar conjugated systems.

Table 1. Record
IdentifierMLC-T-CHM-008474
FieldChemistry
SubjectOrganic and Biomolecular Chemistry
SynonymsPPP method
ReferencesPAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1956 (https://doi.org/10.1351/pac199971101919)
Record as JSON
{
  "id": "MLC-T-CHM-008474",
  "term": "Pariser-Parr-Pople method",
  "field": "Chemistry",
  "definition": "A semi-empirical molecular orbital method used in quantum chemistry to calculate the electronic structure of pi-electron systems, particularly in conjugated organic molecules. It simplifies the full Hamiltonian by neglecting certain electron repulsion integrals and approximating others. This method is primarily applied to planar conjugated systems.",
  "synonyms": [
    "PPP method"
  ],
  "subject": "Organic and Biomolecular Chemistry",
  "references": [
    "PAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1956 (https://doi.org/10.1351/pac199971101919)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/pariser-parr-pople-method/"
}

Record 9,002 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.