*** DISSEMINATION WORKSHOP ***
29 March 2010 - 02 April 2010, LNF-INFN (Frascati, Italy)
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This five-day workshop will focus on the simulation of several Synchrotron Radiation Spectroscopies interpreted in the framework of Multiple Scattering Theory, using various "ab initio" codes developed by members of the European Network "LIGHTNET". It will feature both theoretical sessions in the morning and hands-on applications in the afternoon.
The theory sessions will cover general topics like the interaction between X-ray and Matter, followed by the description and the illustration of the physical meaning of various spectroscopies such as X-ray Absorption Structure (XAS), Magnetic and non-Magnetic Resonant X-ray Diffraction (RXD), Photoemission and Photo-Electron Diffraction (PED), Linear and Circular Dichroism. The Multiple Scattering method for deriving the corresponding response functions will be illustrated, both in the single channel and in the multi-channel version of the theory.
Particular attention will be devoted to the description of the structure of the computer programs that simulate such spectroscopies and will be used in the afternoon sessions.
These latter will feature the application of the concepts introduced in the morning to the practical simulation of particularly interesting spectra both from the physics point of view as well as in their own respect. Applications to problems of interest to participants are also envisaged.
Four main computer programs will be used:
1) MXAN code that fits XAS spectra in the first 200 eV from the edge to derive structural and electronic information on the system under consideration. It is based on the muffin-tin approximation of the potential.
2) FPMS code that takes into accounts the three-dimensional aspect of the photoelectron potential, eliminating the MT approximation, especially useful to calculate low-energy XAS and RXD spectra.
3) MS-SPEC code, for the calculation of Photo-Electron Diffraction patterns, both in the MT and FP (Full Potential) version. XAS calculations are also possible.
4) MCH-MS code, based on the multi-channel version of the MS theory. This theory is necessary when inter-electronic correlations are important both in the initial and the final state.
This workshop is organized in Frascati by
THE LABORATORI NAZIONALI DI FRASCATI DELL' ISTITUTO NAZIONALE DI FISICA NUCLEARE (ITALY),
THE INSTITUT DE PHYSIQUE DE RENNES, UMR UR1-CNRS 6251, CAMPUS DE BEAULIEU, UNIVERSITE' DE RENNES1, RENNES (FRANCE),
THE ICB, UMR 5209 UNIVERSITE' DE BOURGOGNE - CNRS, DIJON (FRANCE),
all members of the "LIGHTNET" European Network, and is financed by the European Community.