Relativistic single-site Green function for general potentials

Abstract

The fully relativistic single-site Green function is derived for generally shaped and magnetically polarized cell potentials. It is shown that the right- and left-hand-side (i.e., ket and bra) solutions of the Dirac equations are the necessary ingredients and their generalized Wronskian relation provides important identities, which play a decisive role in the construction of the Green function.