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--- workshop:heidelberg:september_2024:programme [2024/09/03 16:22] – Maurits W. Haverkort
+++ workshop:heidelberg:september_2024:programme [2024/09/30 08:08] (current) – Maurits W. Haverkort
@@ Line 8: / Line 8: @@
 ^        ^ 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 | ::: |<color #000080>**Lecture F. de Groot **</color> \\ Introduction to core level spectroscopy and theoretical models.    |<color #000080>**Lecture M.-A. Arrio **</color> \\ Atomic multiplets and Crystal-field theory | <color #000080>**Lecture F. de Groot **</color> \\ Introduction to core level spectroscopy and theoretical models. |<color #000080>**Lecture E. Elnaggar **</color> \\ Polarization and dichroism    |<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]] |
+| 9:00 - 10:30 | ::: |<color #000080>**Lecture M.W. Haverkort **</color> \\ Spectroscopy on correlated Quantum materials. From spectroscopy to Green's functions and back.  \\ **Powerpoints** \\ {{ :workshop:heidelberg:september_2024:haverkort_spectroscopy_on_quantum_materials.pptx | Welcome - Introduction - Spectroscopy on Quantum materials }}  |<color #000080>**Lecture M.-A. Arrio **</color> \\ Atomic multiplets and Crystal-field theory \\ **Powerpoints** \\ {{ :workshop:heidelberg:september_2024:arrio-atom-crystal-field-heidelberg2024.pdf | Atomic Multiplet theory and Crystal Fields }} | <color #000080>**Lecture F.M.F. de Groot **</color> \\ Introduction to core level spectroscopy and theoretical models. Multiplets in core level spectroscopy \\ **Powerpoints** \\ {{ :workshop:heidelberg:september_2024:groot_xas.pptx
+ | Part 1 and 2 of the lecture on x-ray absorption spectroscopy }} |<color #000080>**Lecture F.M.F. de Groot **</color> \\ Resonant inelastic x-ray scattering \\ **Powerpoints** \\ {{ :workshop:heidelberg:september_2024:groot_rixs.pptx
+ | Resonant inelastic x-ray scattering }}  |<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> \\ 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**  \\ [[https://www.lua.org/manual/5.2/| Lua Reference Manual ]] \\ [[https://www.quanty.org/documentation/language_reference/| Quanty Reference Manual ]] |<color #800000>**Hands-on tutorials**</color> \\ Atomic multiplet theory. Ligand field theory. Ground-state calculations and temperature (Boltzmann statistics). Magnetic susceptibility. |<color #800000>**Hands-on tutorials**</color> \\ Density functional theory calculations: bands, Density of states, Wannier functions and derived model Hamiltonians \\ **Documentation** \\ --- \\ **Tutorials** \\ ---  \\  |<color #800000>**Hands-on tutorials**</color> \\ Polarisation dependence and tensor formulation of XAS, RIXS and NIXS  \\ **Background literature** \\ --- \\ **Tutorials** \\ --- \\ |<color #800000>**Hands-on tutorials**</color> \\ Calculations using Crispy, a graphical user interface \\ |
+|11:00 - 12:30 | ::: |<color #800000>**Hands-on tutorials**</color> \\ 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**  \\ [[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 M.W. Haverkort**</color> \\ Green's functions and spectroscopy. Anderson impurity models and Dynamical Mean-Field Theory |<color #000080>**Lecture A. Juhin**</color> \\ Density functional theory and K-edges. The spectrum as partial density of states |<color #000080>**Lecture M. W. Haverkort **</color> \\ Ab initio many-body techniques |<color #000080>**Lecture --- **</color> \\ Resonant inelastic x-ray scattering  |  **Departure**  |
+|13:30 - 15:00 | ::: |<color #000080>**Frank M.F. de Groot**</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 A. Juhin**</color> \\ Density functional theory and K-edges. The spectrum as partial density of states \\ **Powerpoints** \\ {{ :workshop:heidelberg:september_2024:juhin_dft-kedge2024.pdf
+ | Density Functional Theory }}  |<color #000080>**Lecture M. W. Haverkort **</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 H. Elnaggar **</color> \\ Polarisation and Dichroism \\ **Powerpoints** \\ {{ :workshop:heidelberg:september_2024:elnaggar_polarizationanddichroism.pptx
+ | Polarization dependence in spectroscopy }} |  **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> \\ 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** \\ [[physics_chemistry:point_groups| A list of important point groups and the crystal-field for different representations ]] \\ **Powerpoints** \\ {{ :workshop:heidelberg:october_2022:haverkort_crystalfield_expansion_renormalized_sphericalharmonics.pptx | Expansion of a potential on spherical Harmonics }}   \\ **Tutorials** \\ {{ :workshop:heidelberg:october_2022:tutorial_monday_afternoon.zip | tutorials introduction to crystal field theory }} \\ |<color #800000>**Hands-on tutorials**</color> \\ Density functional theory calculations: bands, Density of states, Wannier functions and derived model Hamiltonians \\ **Tutorials** \\ --- \\ |<color #800000>**Hands-on tutorials**</color> \\ From DFT to many-body model calculations  \\ **Tutorials** \\ --- \\ |<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** \\ --- \\  | ::: |
+|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 |:::|

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