====== Program ======

Our workshop in Heidelberg will be from Monday morning the 5th of October 2026 to Friday the 9th 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 4-10-2026  ^ Monday 5-10-2026  ^ Tuesday 6-10-2026  ^ Wednesday 7-10-2026  ^ Thursday 8-10-2026  ^ Friday 9-10-2026  ^
| 9:00 - 10:30 | ::: |<color #000080>**Lecture T.B.A. **</color> \\ DMFT on the real frequency axis.  \\ **Powerpoints** \\ {{ :workshop:heidelberg:september_2024:haverkort_spectroscopy_on_quantum_materials.pptx | T.B.A. }}  |<color #000080>**Lecture T.B.A. **</color> \\ Atomic multiplets, Crystal-field, Charge transfer ligand field theory \\ **Powerpoints** \\ {{ :workshop:heidelberg:september_2024:arrio-atom-crystal-field-heidelberg2024.pdf | T.B.A }} | <color #000080>**Lecture T.B.A. **</color> \\ RIXS \\ **Powerpoints** \\ {{ :workshop:heidelberg:september_2024:groot_xas.pptx
 | T.B.A. }} |<color #000080>**Lecture T.B.A. **</color> \\ DFT based calculations \\ **Powerpoints** \\ {{ :workshop:heidelberg:september_2024:groot_rixs.pptx
 | T.B.A. }}  |<color #000080>**Lecture M. Retegan**</color> \\ Calculations using Crispy, a graphical interface  \\ **Codes** \\ [[https://www.esrf.fr/computing/scientific/crispy/index.html|Crispy, a graphical interface]] \\ **Powerpoints** \\ {{ :workshop:heidelberg:september_2024:retegan_crispy.pptx | Crispy, a graphical interface }} |
|10:30 - 11:00 | ::: |  <color #008000>**Coffee**</color>  |  <color #008000>**Coffee**</color>  |  <color #008000>**Coffee**</color>  |  <color #008000>**Coffee**</color>  |  <color #008000>**Coffee**</color>  |
|11:00 - 12:30 | ::: |<color #800000>**Hands-on tutorials**</color> \\ T.B.A.  \\ **Background literature**  \\ [[https://www.lua.org/manual/5.2/| Lua Reference Manual ]] \\ [[https://www.quanty.org/documentation/language_reference/| Quanty Reference Manual ]] \\ **Tutorials** \\ {{ :workshop:heidelberg:september_2024:01_monday_morning_introduction.zip | Introduction to Quanty }} |<color #800000>**Hands-on tutorials**</color> \\ Atomic multiplet theory. Ligand field theory. Ground-state calculations and temperature (Boltzmann statistics). Magnetic susceptibility. \\ **Tutorials** \\ {{ :workshop:heidelberg:september_2024:03_tuesday_morning_atomic_multiplets_and_crystal_field_theory.zip | Atomic multiplets, and crystal field theory }} |<color #800000>**Hands-on tutorials**</color> \\  Crystal field theory, Ligand field theory and Anderson impurity models for many different spectroscopy techniques (XAS, //L<sub>23</sub>// and //K//-edge, Fluorescence yield //L<sub>23</sub>M<sub>45</sub>// and //L<sub>23</sub>M<sub>1</sub>//, 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** \\ {{ :workshop:heidelberg:september_2024:05_wednesday_morning_nio.zip | Many different calculations on NiO }} |<color #800000>**Hands-on tutorials**</color> \\ RIXS: Polarisation dependence, resonant energy dependence and dispersion of magnons. Effective operators, local cluster calculations and linear spin-wave theory. \\  **Tutorials** \\ {{ :workshop:heidelberg:september_2024:07_thursday_morning_rixs.zip | Effective operators for RIXS and magnons in EuO }} \\ |<color #800000>**Hands-on tutorials**</color> \\ Calculations using Crispy, a graphical user interface \\ **Tutorials** \\ {{ :workshop:heidelberg:september_2024:crispy_python_notebooks.zip | Python notebooks running Crispy }}\\ |
|12:30 - 13:30 | ::: |  <color #008000>**Lunch**</color>  |  <color #008000>**Lunch**</color>  |  <color #008000>**Lunch**</color>  |  <color #008000>**Lunch**</color>  |  <color #008000>**Lunch**</color>  |
|13:30 - 15:00 | ::: |<color #000080>** Lecture  T.B.A.**</color> \\ Introduction to core level spectroscopy and theoretical models. One particle v.s. multi particle descriptions and charge transfer.  \\ **Powerpoints** \\ {{ :workshop:heidelberg:september_2024:groot_xas.pptx
 | Part 1 and 2 of the lecture on x-ray absorption spectroscopy }} |<color #000080>**Lecture T.B.A.**</color> \\ T.B.A. \\ **Powerpoints** \\ {{ :workshop:heidelberg:september_2024:juhin_dft-kedge2024.pdf
 | T.B.A. }}  |<color #000080>**Lecture T.B.A. **</color> \\ Ab initio many-body techniques \\ **Powerpoints** \\ {{ :workshop:heidelberg:september_2024:haverkort_ab_initio_embedded_cluster_methods.pptx
 | DFT+MLFT and DFT+DMFT }} |<color #000080>**Lecture T.B.A. **</color> \\ T.B.A. \\ **Powerpoints** \\ {{ :workshop:heidelberg:september_2024:elnaggar_polarizationanddichroism.pptx
 | T.B.A. }} |  **Departure**  |
|15:00 - 15:30 | ::: |  <color #008000>**Coffee**</color>  |  <color #008000>**Coffee**</color>  |  <color #008000>**Coffee**</color>  |  <color #008000>**Coffee**</color>  | ::: |
|15:30 - 17:00 | ::: |<color #800000>**Hands-on tutorials**</color> \\ 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** \\ {{ :workshop:heidelberg:september_2024:02_monday_afternoon_chargetransfer.zip | Spectroscopy PES, cPES and XAS charge transfer and Mott-Hubbard excitations }}|<color #800000>**Hands-on tutorials**</color> \\ Density functional theory calculations: bands, Density of states, Wannier functions and partial density of states \\ **Tutorials** \\ {{ :workshop:heidelberg:september_2024:04_tuesday_afternoon_dft.zip | Density functional theory with FPLO }} |<color #800000>**Hands-on tutorials**</color> \\ From DFT to many-body model calculations  \\ **Tutorials** \\ {{ :workshop:heidelberg:september_2024:06_wednesday_afternoon_lda_plus_mlft.zip | Density functional theory with FPLO - some additional input for NiO}} \\ |<color #800000>**Hands-on tutorials**</color> \\ Polarisation dependence and tensor formulation of XAS, RIXS and NIXS   \\ **Tutorials** \\ {{ :workshop:heidelberg:september_2024:08_thursday_afternoon_polarization.zip | Polarisation dependent spectroscopy and tensors }} \\  | ::: |
|17:00 - ...| **Arrival** |Free evening program |Free evening program |<color #800080>**Poster session**</color> \\ 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.


===== Table of contents =====
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