On Perturbative SOC methods


For a 1s electron, whose velocity is equal to Z in atomic units, the relativistic effect leading to heavier mass, for heavy elements (Z high), thus cannot be ignored. The result is a relativistic contraction of the orbitals, causing lowering of Zeff on orbitals of higher angular momentum. This calls for a relativistic treatment of quantum dynamics. For an… (More)


2 Figures and Tables