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

We describe a Full Multiple Scattering (MS) code for the calculation of pho toelectron diffraction (PD) patterns from solid surfaces. The use of a comp lex potential allows the calculation of complex phase shifts which describe realistically the damping of the electronic wave during its path to the de tector. Full convergence in the scattering path expansion due to the invers ion of the multiple scattering matrix makes this method particularly reliab le in the surface sensitive energy range of the photoelectron, where approx imate solutions in terms of series expansion and/or real potential calculat ions lead to inaccuracies in the determination of structural parameters. In this form the code is suitable to applications to clean surfaces such as S urface Core Level Shift Photoelectron Diffraction (SCLS-PD). (C) 2000 Elsev ier Science B.V. All rights reserved.