Table of Contents
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Program
(Work in progress, please come back later for an updated program)
Our workshop in Heidelberg will be from Monday morning the 23rd of September 2024 to Friday the 27th at lunch time. The program includes alternating theory sessions with lectures and hands-on tutorials. We expect participants to arrive on Sunday evening (or Monday morning early) and leave on Friday.
We will add links to tutorials and powerpoint presentations in the week before the workshop.
| Sunday 22-9-2024 | Monday 23-9-2024 | Tuesday 24-9-2024 | Wednesday 25-9-2022 | Thursday 26-9-2024 | Friday 27-9-2024 | |
|---|---|---|---|---|---|---|
| 9:00 - 10:30 | Lecture F. de Groot Introduction to core level spectroscopy and theoretical models. | Lecture M.-A. Arrio Atomic multiplets and Crystal-field theory | Lecture F. de Groot Introduction to core level spectroscopy and theoretical models. | Lecture E. Elnaggar Polarization and dichroism | Lecture M. Retegan Calculations using Crispy, a graphical interface Codes Crispy, a graphical interface |
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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, Self energy) Background literature Lua Reference Manual Quanty Reference Manual | Hands-on tutorials Atomic multiplet theory. Ligand field theory. Ground-state calculations and temperature (Boltzmann statistics). Magnetic susceptibility. | Hands-on tutorials Crystal field theory, Ligand field theory and Anderson impurity models for many different spectroscopy techniques (XAS, L23 and K-edge, Fluorescence yield L23M45 and L23M1, RIXS core valence and core core excitations, nIXS valence and core excitations, PES, corePES, IPES and XES) and methods to analyse the models and spectra (Energy level diagrams, Density matrix plots, temperature, conductivity tensors to capture polarization) | Hands-on tutorials Polarisation dependence and tensor formulation of XAS, RIXS and NIXS Background literature --- Tutorials --- | Hands-on tutorials Calculations using Crispy, a graphical user interface |
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| 12:30 - 13:30 | Lunch | Lunch | Lunch | Lunch | Lunch | |
| 13:30 - 15:00 | Lecture M.W. Haverkort Green's functions and spectroscopy. Anderson impurity models and Dynamical Mean-Field Theory | Lecture A. Juhin Density functional theory and K-edges. The spectrum as partial density of states | Lecture M. W. Haverkort Ab initio many-body techniques | Lecture --- Resonant inelastic x-ray scattering | Departure | |
| 15:00 - 15:30 | Coffee | Coffee | Coffee | Coffee | ||
| 15:30 - 17:00 | Hands-on tutorials Crystal-field theory: Ground-state calculations including Energy level diagram, finite temperature, magnetic susceptibility. Spectroscopy calculations including cPES, XAS, nIXS and RIXS (Tutorial continues on Tuesday.) Background literature A list of important point groups and the crystal-field for different representations Powerpoints Expansion of a potential on spherical Harmonics Tutorials tutorials introduction to crystal field theory | Hands-on tutorials Density functional theory calculations: bands, Density of states, Wannier functions and derived model Hamiltonians Tutorials --- | Hands-on tutorials From DFT to many-body model calculations Tutorials --- | Hands-on tutorials RIXS: Polarisation dependence, resonant energy dependence and dispersion of magnons. Effective operators, local cluster calculations and linear spin-wave theory. Tutorials --- |
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| 17:00 - … | Arrival | Free evening program | Free evening program | Poster session Time for the participants to present their own research. | Free evening program |
Posters
Feel free to bring your poster on Monday morning and place it on one of the walls of our institute.
