Term: Gaussian orbital
https://doi.org/10.1351/goldbook.08171

Definition:
Function centered on an atom of the form \(\phi(r) \propto x^{i} y^{j} z^{k} \exp (-\zeta r^{2})\), used to approximate atomic orbitals in the LCAO-MO method.

Source: PAC, 2022, 94, 353. 'Glossary of terms used in physical organic chemistry (IUPAC Recommendations 2021)' on page 424 (https://doi.org/10.1515/pac-2018-1010)

Citation: 'Gaussian orbital' in IUPAC Compendium of Chemical Terminology, 5th ed. International Union of Pure and Applied Chemistry; 2025. Online version 5.0.0, 2025. https://doi.org/10.1351/goldbook.08171

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