Table of Contents
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 | |
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| 9:00 - 10:30 | Lecture M.W. Haverkort Spectroscopy on correlated Quantum materials. From spectroscopy to Green's functions and back. Powerpoints Welcome - Introduction - Spectroscopy on Quantum materials | Lecture M.-A. Arrio Atomic multiplets and Crystal-field theory Powerpoints Atomic Multiplet theory and Crystal Fields | Lecture F.M.F. de Groot Introduction to core level spectroscopy and theoretical models. Multiplets in core level spectroscopy Powerpoints Part 1 and 2 of the lecture on x-ray absorption spectroscopy | Lecture F.M.F. de Groot Resonant inelastic x-ray scattering Powerpoints Resonant inelastic x-ray scattering | Lecture M. Retegan Calculations using Crispy, a graphical interface Codes Crispy, a graphical interface Powerpoints 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 Tutorials Introduction to Quanty | Hands-on tutorials Atomic multiplet theory. Ligand field theory. Ground-state calculations and temperature (Boltzmann statistics). Magnetic susceptibility. Tutorials Atomic multiplets, and crystal field theory | 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) Tutorials Many different calculations on NiO | Hands-on tutorials RIXS: Polarisation dependence, resonant energy dependence and dispersion of magnons. Effective operators, local cluster calculations and linear spin-wave theory. Tutorials Effective operators for RIXS and magnons in EuO | Hands-on tutorials Calculations using Crispy, a graphical user interface Tutorials Python notebooks running Crispy |
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| 12:30 - 13:30 | Lunch | Lunch | Lunch | Lunch | Lunch | |
| 13:30 - 15:00 | Frank M.F. de Groot Introduction to core level spectroscopy and theoretical models. One particle v.s. multi particle descriptions and charge transfer. Powerpoints Part 1 and 2 of the lecture on x-ray absorption spectroscopy | Lecture A. Juhin Density functional theory and K-edges. The spectrum as partial density of states Powerpoints Density Functional Theory | Lecture M. W. Haverkort Ab initio many-body techniques Powerpoints DFT+MLFT and DFT+DMFT | Lecture H. Elnaggar Polarisation and Dichroism Powerpoints Polarization dependence in spectroscopy | Departure | |
| 15:00 - 15:30 | Coffee | Coffee | Coffee | Coffee | ||
| 15:30 - 17:00 | Hands-on tutorials Valence and co-valency in crystals and molecules. Continuum excitations or Bands, excitons and resonances. PES, core level PES and XAS for a one band model and a two band model. Charge transfer and Mott Hubbard insulators. Single band DMFT. Tutorials Spectroscopy PES, cPES and XAS charge transfer and Mott-Hubbard excitations | Hands-on tutorials Density functional theory calculations: bands, Density of states, Wannier functions and partial density of states Tutorials Density functional theory with FPLO | Hands-on tutorials From DFT to many-body model calculations Tutorials Density functional theory with FPLO - some additional input for NiO | Hands-on tutorials Polarisation dependence and tensor formulation of XAS, RIXS and NIXS Tutorials Polarisation dependent spectroscopy and tensors |
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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.
