MSPHD: A full multiple scattering code for low energy photoelectron diffraction Original Research Article

We describe a Full Multiple Scattering (MS) code for the calculation of photoelectron diffraction (PD) patterns from solid surfaces. The use of a complex potential allows the calculation of complex phase shifts which describe realistically the damping of the electronic wave during its path to the detector. Full convergence in the scattering path expansion due to the inversion of the multiple scattering matrix makes this method particularly reliable in the surface sensitive energy range of the photoelectron, where approximate solutions in terms of series expansion and/or real potential calculations lead to inaccuracies in the determination of structural parameters. In this form the code is suitable to applications to clean surfaces such as Surface Core Level Shift Photoelectron Diffraction (SCLS-PD).