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workshop:heidelberg:october_2019:programme [2019/09/02 11:40]
Maurits W. Haverkort
workshop:heidelberg:october_2019:programme [2019/09/02 13:04] (current)
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 (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** \\ |+| 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** \\ \\ |
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