Table of Contents
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Program
Our workshop will start on Monday morning the 24th of September and ends Friday the 28th at lunch time. We plan alternating sessions with lectures and hands-on tutorials.
The topics discussed in the program below will change. The current version shows roughly our intention.
------------------ | Sunday 9-23-2018 --------------------------- | Monday 9-24-2018 --------------------------------- | Tuesday 9-25-2018 --------------------------------- | Wednesday 9-26-2018 --------------------------------- | Thursday 9-27-2018 --------------------------------- | Friday 9-28-2018 --------------------------------- |
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9:00 - 10:30 | Lecture F. de Groot Introduction to core level spectroscopy and theoretical models. Spectroscopy types, edges, level of theory | Lecture G. Lelong Experimental questions (why core level spectroscopy) | Lecture A. Juhin Polarization and dichroism | Lecture A. Juhin Density functional theory and K-edges | Lecture R. Green Double clusters. Band-structure effects in XAS and RIXS. Spectroscopy of metals, from excitons to resonances |
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10:30 - 11:00 | Coffee | Coffee | Coffee | Coffee | Coffee | |
11:00 - 12:30 | Hands-on tutorials Introduction to Quanty, a many-body script language. (Orbitals, Slater-determinants, many-particle eigenstates, configuration interaction, restricted active space, Green’s functions) | Hands-on tutorials X-ray spectroscopy of NiO in the crystal-field approximation (XAS, PES, RXD, NIXS, RIXS) | Hands-on tutorials Polarization dependence and tensor formulation of XAS, RIXS and NIXS | Hands-on tutorials Density functional theory calculation of NiO: bands, DOS, Wannier functions | Hands-on tutorials Anderson impurity model XAS / cPES of metals |
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12:30 - 13:30 | Lunch | Lunch | Lunch | Lunch | Lunch | |
13:30 - 15:00 | Lecture M.-A. Arrio Crystal-field theory and multiplets | M. Retegan Calculations using Crispy, a graphical interface | Lecture F. de Groot Ligand field theory | M. W. Haverkort Ab initio many-body techniques | Departure | |
15:00 - 15:30 | Coffee | Coffee | Coffee | Coffee | ||
15:30 - 17:00 | Hands-on tutorials Ground-state calculations: Energy level diagram, finite temperature, magnetic susceptibility of NiO in the crystal-field approximation | Hands-on tutorials Calculations using Crispy | Hands-on tutorials X-ray spectroscopy of NiO in the ligand-field approximation (XAS, PES, RXD, NIXS, RIXS) | Hands-on tutorials From DFT to MLFT |
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Arrival | ||||||
18:00 - … | Free evening program | Poster session Time for the participants to present their own research. | Free evening program | Free evening program |
Table of contents
We would like to thank the Universitė franco-allemande, Deutsch-Franzödische Hochschule for co-financing this workshop.