Hartree-Fock Diamagnetic Susceptibilities

Abstract

The diamagnetic susceptibilities of all free atoms up to $Z=103$ are calculated within the nonrelativistic and relativistic numerical Hartree-Fock approximations. Relativistic calculations are also performed for certain ions. The use of Dirac self-consistent wave functions leads to lower calculated susceptibilities. This effect becomes appreciable at very large atomic numbers; e.g., in uranium a decrease of 12.3% below the nonrelativistic value is found. For the case of the rare gases, the Hartree-Fock diamagnetic susceptibilities are found to lie above the experimental values. This is attributed to the omitted effects of electron correlation. For the noble and divalent metals, the calculated atomic-core diamagnetic susceptibilities lie above the experimental metallic values, since we have not included the paramagnetism of the conduction electrons.