Table of Contents

Program

Our workshop in Heidelberg will be from Monday morning the 7-th of October 2019 to Friday the 11-th 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.


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Sunday 6-10-2019
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Monday 7-10-2019
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Tuesday 8-10-2019
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Wednesday 9-10-2019
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Thursday 10-10-2019
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Friday 11-10-2019
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9:00 - 10:30 Lecture F. de Groot
Introduction to core level spectroscopy and theoretical models. Spectroscopy types, edges, level of theory
Background literature

Powerpoints

Lecture F. de Groot
Charge transfer multiplet theory (Ligand field theory) and core level spectroscopy
Background literature

Powerpoints

Codes
CTM4XAS
CTM4DOC
Quanty4RIXS
Lecture A. Juhin
Density functional theory and K-edges
Background literature

Powerpoints

Lecture A. Juhin
Polarization and dichroism
Background literature

Powerpoints
Lecture M. W. Haverkort
Multi-scale modelling of RIXS.
Background literature

Powerpoints
10:30 - 11:00 Coffee Coffee Coffee Coffee Coffee
11:00 - 12:30 Hands-on tutorials
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
Lua Reference Manual
Powerpoints

Tutorials

Hands-on tutorials
Ligand field theory
Powerpoints

Tutorials

Hands-on tutorials
Density functional theory calculation of NiO and CrF4: bands, DOS, Wannier functions, Molecular orbitals, ligand orbitals
Tutorials

Hands-on tutorials
Polarization dependence and tensor formulation of XAS, RIXS and NIXS
Tutorials
Hands-on tutorials
Multi-scale modelling of RIXS. Magnon dispersion in NiO and EuO as seen with RIXS
tutorials

12:30 - 13:30 Lunch Lunch Lunch Lunch Lunch
13:30 - 15:00 Lecture M.-A. Arrio
Crystal-field theory and multiplets
Background literature

Powerpoints

Lecture M. Retegan
Calculations using Crispy, a graphical interface
Codes
Crispy
Powerpoints
Lecture M. W. Haverkort
Ab initio many-body techniques
Background literature

Powerpoints
R. Green
Double clusters. Band-structure effects in XAS and RIXS. Spectroscopy of metals, from excitons to resonances
Powerpoints
Departure
15:00 - 15:30 Coffee Coffee Coffee Coffee
15:30 - 17:00 Hands-on tutorials
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

powerpoints

tutorials

Hands-on tutorials
Calculations using Crispy
Tutorials
Hands-on tutorials
From DFT to MLFT
powerpoints

tutorials
Hands-on tutorials
Double cluster and Anderson impurity models
powerpoints

tutorials

Arrival
18:00 - … Free evening program Poster session
Time for the participants to present their own research.
Free evening program Free evening program

Posters

Feel free to bring your poster on Monday morning and place it on one of the walls of our institute.

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