Basis Set (chemistry) - Minimal Basis Sets

Minimal Basis Sets

The most common minimal basis set is STO-nG, where n is an integer. This n value represents the number of Gaussian primitive functions comprising a single basis function. In these basis sets, the same number of Gaussian primitives comprise core and valence orbitals. Minimal basis sets typically give rough results that are insufficient for research-quality publication, but are much cheaper than their larger counterparts. Commonly used minimal basis sets of this type are:

  • STO-3G
  • STO-4G
  • STO-6G
  • STO-3G* - Polarized version of STO-3G

There are several other minimum basis sets that have been used such as the MidiX basis sets.

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