About Spin-Orbit in the Multiple Scattering Theory

Abstract

This paper presents the treatment of the spin-orbit interaction to calculate x-ray spectroscopies. This term is here more specifically developed inside the Multiple Scattering Theory. We give the general paths resulting in a Schrödinger-like couple of equations, whose solutions are given in terms of $\ell$, m, $\sigma$ (spin) and s (solution) quantum numbers. The connection with the multiple scattering amplitudes is then given as well as the more general expression when dealing with complex self-energies. Finally the response functions for x-ray absorption near edge structure is given as it is implemented in the fdmnes code.