Semi-empirical pseudopotentials can be modified in a simple way so as to reproduce frozen-core Hartree-Fock or Dirac-Fock results, respectively. The influence of relativistic effects is quantitatively discussed (i) for (r n ) expectation values and dipole polarisabilities of group IA and IB atoms, and (ii) for the bond lengths of K 2 + and Cu 2 .
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Fuentealba et al. (1983) studied this question.
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