Multiple Scattering Theory for Spectroscopies A Guide to Multiple Scattering Computer Codes -- Dedicated to C. R. Natoli on the Occasion of his 75th Birthday

This edited book, based on material presented at the EU Spec Training School on Multiple Scattering Codes and the following MSNano Conference, is divided into two distinct parts. The first part, subtitled “basic knowledge”, provides the basics of the multiple scattering description in spectroscopies, enabling readers to understand the physics behind the various multiple scattering codes available for modelling spectroscopies. The second part, “extended knowledge”, presents “state- of-the-art” short chapters on specific subjects associated with improving of the actual description of spectroscopies within the multiple scattering formalism, such as inelastic processes, or precise examples of modelling.

Introduction to (multiple) scattering theory.- Generating phase-shifts and radial integrals for multiple scattering codes.- Real Space Full Potential Multiple Scattering Theory.- KKR Green’s function method in reciprocal and real space.- Multichannel Multiple Scattering Theory in R-matrix formalism.- Multiple Scattering in Green’s Function Formalism: Single-Channel and Multichannel Versions.- MXAN and Molecular Dynamics: a new way to look to the XANES (X-ray Absorption Near Edge Structure) energy region.- gnxas: advances in the suite of programs for multiple-scattering analysis of x-ray absorption data.- (e,2e) impact ionization processes for surface science.- Layer-resolved photoemission study of doped Ag-supported ultrathin MgO ?lms.- es2ms: interface from Electronic Structure codes to Multiple Scattering codes.- L-edge absorption and dichroism in low symmetry 3d0 compounds.- Multichannel L-absorption calculations by analytical continuation of Green’s function into complex energy plane.- Ballistic Electron Emission Microscope by real space multiple scattering theory.- Fully relativistic multiple scattering calculations for general potentials.- Relativistic e?ects and gauge invariance in photon absorption and scattering.- Towards accurate and large-scale density-functional calculations with the Korringa-Kohn-Rostoker method.