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Already in 1927, shortly after introduction of the Friedrich Hund and Robert S. Mulliken. Starting point of the method are the following approximations:, the molecular orbital theory (MO theory) was developed by
- Movement of the electrons occurs in a fixed nuclear framework ( )
- Independently from each other, electrons move in an averaged field of the other electrons
Calculation of theis made using a .
In the past, MO theory has proven to be a very effective method and forms the basis of many quantum chemical calculations.
See also: VB theory
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