atomic units

https://doi.org/10.1351/goldbook.A00504
The units designed to simplify the form of the fundamental equations of quantum mechanics by eliminating from them fundamental constants. The atomic unit of length is the Bohr radius, ao=h24 π2 m e2=5.291 77249×10−11 m (0.529177249 A˚). Energy is measured in hartrees, where 1 hartree=e2ao=4.359 7482×10−18 J. Masses are specified in terms of atomic mass unit, amu=1.6605402×10−27 kg and of the electron mass unit, me=0.910953×10−30 kg. The advantage of atomic units is that if all calculations are directly expressed in such units, the results do not vary with any revision of the numerical values of the fundamental constants.
Source:
PAC, 1999, 71, 1919. (Glossary of terms used in theoretical organic chemistry) on page 1924 [Terms] [Paper]
Citation: 'atomic units' 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.A00504 RIS BibTex EndNote
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