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Preferred Label : basis function;

IUPAC definition : A one-electron function used in the expansion of the molecular orbital function. Basis functions are commonly represented by atomic orbitals (see also Slater-type orbital or Gaussian-type orbital) centered on each atom of the molecule.;

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A one-electron function used in the expansion of the molecular orbital function. Basis functions are commonly represented by atomic orbitals (see also Slater-type orbital or Gaussian-type orbital) centered on each atom of the molecule.

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10/07/2025


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