Finite-field SCF calculations of the dipole polarisabilities of heavy atoms using relativistic effective potentials

The static dipole polarisabilities of Xe, Lu, Hg+, Hg, Tl and At have been determined from finite-field SCF calculations within a valence-electron relativistic effective potential formalism. The effect of the self-consistent inclusion of spin-orbit coupling on the calculated polarisabilities has been investigated by comparing j-averaged (L, Λ) results with j-dependent (J, Ω) calculations. The atoms selected provide a range of closed-shell, particle and hole states for comparative study. The results suggest that self-consistent inclusion of spin-orbit coupling is far more important for the particle states than for the hole states. (author)