Abstract
The lowest order relativistic correction to the total energies of (i) the exact non-relativistic wavefunction, (ii) a closed-shell Hartree-Fock wavefunction and (iii) an open-shell Hartree-Fock wavefunction are derived. The relativistic contribution to the correlation energy is defined and shown to make non-negligible contributions to the fine structure in single valence electron atoms of nuclear charge greater than that of argon. The simultaneous failure of perturbation theory to reproduce the Dirac-Fock predictions and of the latter to reproduce the experimental fine structure is attributed to relativistically induced differences in the charge distributions of the l and l Dirac-Fock atomic orbitals.
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