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--- workshop:heidelberg:october_2022:programme [2022/10/18 12:04] – Maurits W. Haverkort
+++ workshop:heidelberg:october_2022:programme [2022/10/18 12:06] (current) – Maurits W. Haverkort
@@ Line 12: / Line 12: @@
 |13:30 - 15:00 | ::: |<color #000080>**Lecture M.-A. Arrio**</color> \\ Crystal-field theory and multiplets \\ **Background literature** \\ Introduction to ligand field theory by Carl J. Ballhausen \\ **Powerpoints ** \\ {{ :workshop:heidelberg:october_2022:arrio-crystal-field-heidelberg2022.pdf | Crystal field in multi-electron 3d ions. Marie-Anne Arrio. }}  \\ |<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]] \\ {{ :workshop:heidelberg:october_2022:crispy_python.zip | Python notebooks running Crispy }} \\ **Powerpoints** \\ {{ :workshop:heidelberg:october_2022:retegan_crispy_presentation.pptx | Crispy, a graphical interface }} \\  |<color #000080>**Lecture F. de Groot**</color> \\ Resonant inelastic x-ray scattering \\ **Powerpoints** \\ {{ :workshop:heidelberg:october_2022:frank_de_groot_heidelberg22_rixs.pptx | RIXS }} \\ |<color #000080>**Lecture M. W. Haverkort**</color> \\ Ab initio many-body techniques \\ **Powerpoints** \\ {{ :workshop:heidelberg:october_2022:haverkort_dft_to_tightbinding_ligandfield.pptx | From DFT to LFMT }} \\ |  **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> \\ Calculations using Crispy \\ **Tutorials** \\ continuation from the session before the coffee brake \\ |<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. An example of EuO.  \\ **powerpoints** \\ PPT6 \\ **tutorials** \\ {{ :workshop:heidelberg:october_2022:tutorial_wednesday_afternoon.zip | tutorials on RIXS of EuO including polarisation dependence, resonant energy dependence, and dispersion of the magnons. }} \\ |<color #800000>**Hands-on tutorials**</color> \\ From DFT to MLFT  \\ **tutorials** \\ {{ :workshop:heidelberg:october_2022:nio_dft_to_ligandfield.zip | Scripts to read the DFT output and generate a ligand field model for NiO}} \\  | ::: |
+|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> \\ Calculations using Crispy \\ **Tutorials** \\ continuation from the session before the coffee brake \\ |<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. An example of EuO.  \\ **Tutorials** \\ {{ :workshop:heidelberg:october_2022:tutorial_wednesday_afternoon.zip | tutorials on RIXS of EuO including polarisation dependence, resonant energy dependence, and dispersion of the magnons. }} \\ |<color #800000>**Hands-on tutorials**</color> \\ From DFT to MLFT  \\ **Tutorials** \\ {{ :workshop:heidelberg:october_2022:nio_dft_to_ligandfield.zip | Scripts to read the DFT output and generate a ligand field model for NiO}} \\  | ::: |
 |  |  **Arrival**  | | <color #800080>**Poster session**</color> \\ Time for the participants to present their own research. | | | ::: |
 |18:00 - ... | | Free evening program | ::: | Free evening program | Free evening program | ::: |

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