Individual gauge for localized orbitals

{
  "id": "MLC-T-CHM-005787",
  "term": "Individual gauge for localized orbitals",
  "field": "Chemistry",
  "definition": "A computational method for calculating nuclear magnetic shielding tensors where each localized molecular orbital has its own gauge origin, positioned at the centroid of that orbital. This approach, abbreviated as IGLO, contrasts with methods that use a single common gauge origin for all orbitals. Using localized origins for localized orbitals is designed to reduce the large cancellation errors between paramagnetic and diamagnetic contributions that can occur with a single, distant gauge origin.",
  "subject": "Organic and Biomolecular Chemistry",
  "see_also": [
    "diamagnetic",
    "paramagnetic"
  ],
  "references": [
    "PAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1946 (https://doi.org/10.1351/pac199971101919)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/individual-gauge-for-localized-orbitals/"
}