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| workshop:heidelberg:october_2019:programme [2019/09/02 11:35] – Maurits W. Haverkort | workshop:heidelberg:october_2019:programme [2019/09/02 13:04] – Maurits W. Haverkort |
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| ^ \\ <color #E4E4E4>------------------</color> ^ Sunday 6-10-2019 \\ <color #E4E4E4>---------------------------</color> ^ Monday 7-10-2019 \\ <color #E4E4E4>---------------------------------</color> ^ Tuesday 8-10-2019 \\ <color #E4E4E4>---------------------------------</color> ^ Wednesday 9-10-2019 \\ <color #E4E4E4>---------------------------------</color> ^ Thursday 10-10-2019 \\ <color #E4E4E4>---------------------------------</color> ^ Friday 11-10-2019 \\ <color #E4E4E4>---------------------------------</color> ^ | ^ \\ <color #E4E4E4>------------------</color> ^ Sunday 6-10-2019 \\ <color #E4E4E4>---------------------------</color> ^ Monday 7-10-2019 \\ <color #E4E4E4>---------------------------------</color> ^ Tuesday 8-10-2019 \\ <color #E4E4E4>---------------------------------</color> ^ Wednesday 9-10-2019 \\ <color #E4E4E4>---------------------------------</color> ^ Thursday 10-10-2019 \\ <color #E4E4E4>---------------------------------</color> ^ Friday 11-10-2019 \\ <color #E4E4E4>---------------------------------</color> ^ |
| | 9:00 - 10:30 | ::: |<color #000080>**Lecture F. de Groot / R. Green**</color> \\ Introduction to core level spectroscopy and theoretical models. Spectroscopy types, edges, level of theory \\ **Background literature** \\ \\ **Powerpoints** \\ \\ |<color #000080>**Lecture F. de Groot**</color> \\ Charge transfer multiplet theory and core level spectroscopy \\ **Background literature** \\ \\ **Powerpoints** \\ \\ **Codes** \\ [[http://www.anorg.chem.uu.nl/CTM4XAS/|CTM4XAS]] \\ [[http://www.anorg.chem.uu.nl/CTM4XAS/Updates/latestversions.html|CTM4DOC]]\\ [[https://git.science.uu.nl/P.Zimmermann/Quanty4RIXS/tree/master|Quanty4RIXS]] \\ |<color #000080>**Lecture A. Juhin**</color> \\ Density functional theory and K-edges \\ **Background literature** \\ \\ **Powerpoints** \\ \\ |<color #000080>**Lecture A. Juhin**</color> \\ Polarization and dichroism \\ **Background literature** \\ \\ **Powerpoints** \\ |<color #000080>**Lecture M. W. Haverkort**</color> \\ Multi-scale modelling of RIXS. \\ **Background literature** \\ \\ **Powerpoints** \\ | | | 9:00 - 10:30 | ::: |<color #000080>**Lecture F. de Groot **</color> \\ Introduction to core level spectroscopy and theoretical models. Spectroscopy types, edges, level of theory \\ **Background literature** \\ \\ **Powerpoints** \\ \\ |<color #000080>**Lecture F. de Groot**</color> \\ Charge transfer multiplet theory (Ligand field theory) and core level spectroscopy \\ **Background literature** \\ \\ **Powerpoints** \\ \\ **Codes** \\ [[http://www.anorg.chem.uu.nl/CTM4XAS/|CTM4XAS]] \\ [[http://www.anorg.chem.uu.nl/CTM4XAS/Updates/latestversions.html|CTM4DOC]]\\ [[https://git.science.uu.nl/P.Zimmermann/Quanty4RIXS/tree/master|Quanty4RIXS]] \\ |<color #000080>**Lecture A. Juhin**</color> \\ Density functional theory and K-edges \\ **Background literature** \\ \\ **Powerpoints** \\ \\ |<color #000080>**Lecture A. Juhin**</color> \\ Polarization and dichroism \\ **Background literature** \\ \\ **Powerpoints** \\ |<color #000080>**Lecture M. W. Haverkort**</color> \\ Multi-scale modelling of RIXS. \\ **Background literature** \\ \\ **Powerpoints** \\ | |
| |10:30 - 11:00 | ::: | <color #008000>**Coffee**</color> | <color #008000>**Coffee**</color> | <color #008000>**Coffee**</color> | <color #008000>**Coffee**</color> | <color #008000>**Coffee**</color> | | |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 ]] \\ **Powerpoints** \\ \\ **Tutorials** \\ \\ |<color #800000>**Hands-on tutorials**</color> \\ Ligand field theory \\ **Powerpoints** \\ \\ **Tutorials** \\ \\ |<color #800000>**Hands-on tutorials**</color> \\ Density functional theory calculation of NiO and CrF<sub>4</sub>: bands, DOS, Wannier functions, Molecular orbitals, ligand orbitals \\ **Tutorials** \\ \\ |<color #800000>**Hands-on tutorials**</color> \\ Polarization dependence and tensor formulation of XAS, RIXS and NIXS \\ **Tutorials** \\ |<color #800000>**Hands-on tutorials**</color> \\ Multi-scale modelling of RIXS. Magnon dispersion in NiO and EuO as seen with RIXS \\ **tutorials** \\ \\ | | |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 ]] \\ **Powerpoints** \\ \\ **Tutorials** \\ \\ |<color #800000>**Hands-on tutorials**</color> \\ Ligand field theory \\ **Powerpoints** \\ \\ **Tutorials** \\ \\ |<color #800000>**Hands-on tutorials**</color> \\ Density functional theory calculation of NiO and CrF<sub>4</sub>: bands, DOS, Wannier functions, Molecular orbitals, ligand orbitals \\ **Tutorials** \\ \\ |<color #800000>**Hands-on tutorials**</color> \\ Polarization dependence and tensor formulation of XAS, RIXS and NIXS \\ **Tutorials** \\ |<color #800000>**Hands-on tutorials**</color> \\ Multi-scale modelling of RIXS. Magnon dispersion in NiO and EuO as seen with RIXS \\ **tutorials** \\ \\ | |
