Table of Contents

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Program

Our workshop will start on Monday morning the 24th of September and ends Friday the 28th at lunch time. We plan alternating sessions with lectures and hands-on tutorials.

The topics discussed in the program below will change. The current version shows roughly our intention.


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Sunday 9-23-2018
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Monday 9-24-2018
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Tuesday 9-25-2018
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Wednesday 9-26-2018
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Thursday 9-27-2018
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Friday 9-28-2018
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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
Lecture G. Lelong
Experimental questions (why core level spectroscopy)
Lecture A. Juhin
Polarization and dichroism
Lecture A. Juhin
Density functional theory and K-edges
Lecture R. Green
Double clusters. Band-structure effects in XAS and RIXS. Spectroscopy of metals, from excitons to resonances
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)
Hands-on tutorials
X-ray spectroscopy of NiO in the crystal-field approximation (XAS, PES, RXD, NIXS, RIXS)
Hands-on tutorials
Polarization dependence and tensor formulation of XAS, RIXS and NIXS
Hands-on tutorials
Density functional theory calculation of NiO: bands, DOS, Wannier functions
Hands-on tutorials
Anderson impurity model XAS / cPES of metals
12:30 - 13:30 Lunch Lunch Lunch Lunch Lunch
13:30 - 15:00 Lecture M.-A. Arrio
Crystal-field theory and multiplets
M. Retegan
Calculations using Crispy, a graphical interface
Lecture F. de Groot
Ligand field theory
M. W. Haverkort
Ab initio many-body techniques
Departure
15:00 - 15:30 Coffee Coffee Coffee Coffee
15:30 - 17:00 Hands-on tutorials
Ground-state calculations: Energy level diagram, finite temperature, magnetic susceptibility of NiO in the crystal-field approximation
Hands-on tutorials
Calculations using Crispy
Hands-on tutorials
X-ray spectroscopy of NiO in the ligand-field approximation (XAS, PES, RXD, NIXS, RIXS)
Hands-on tutorials
From DFT to MLFT
Arrival
18:00 - … Free evening program Poster session
Time for the participants to present their own research.
Free evening program Free evening program

Table of contents

We would like to thank the Universitė franco-allemande, Deutsch-Franzödische Hochschule for co-financing this workshop.

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