The SCF wave functions are calculated with Slater-type functions (STFs) from Sc to Zn. The obtained total energies agree with those of numerical Hartree–Fock (NHF) given by Fischer, while they are somewhat different (≤0.0005 a.u.) from those of NHF given by Hay. The resulting atomic HF wave function for Cu has been applied to the Cu2 molecule as the basis set.
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Tatewaki et al. (1986) studied this question.