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.

------------------	Sunday 9-23-2018 ---------------------------	Monday 9-24-2018 ---------------------------------	Tuesday 9-25-2018 ---------------------------------	Wednesday 9-26-2018 ---------------------------------	Thursday 9-27-2018 ---------------------------------	Friday 9-28-2018 ---------------------------------
9:00 - 10:30		Lecture F. de Groot Introduction to core level spectroscopy and theoretical models. Spectroscopy types, edges, level of theory Background literature Term symbols and Hunds rule Powerpoints Introduction to x-ray absorption Codes CTM4XAS	Lecture F. de Groot Experimental questions (why core level spectroscopy) - Ligand field theory - Charge transfer and RIXS Powerpoints Introduction to resonant inelastic x-ray scattering Codes Quanty4RIXS	Lecture A. Juhin Polarization and dichroism Powerpoints Polarisation and dichroism	Lecture A. Juhin Density functional theory and K-edges	Lecture M. W. Haverkort 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) Background literature Lua Reference Manual Powerpoints Introduction to Quanty Introduction to Many Body Physics Coulomb repulsion Crystal fields Tutorials tutorials introduction to many body physics and atomic multiplets using quanty	Hands-on tutorials X-ray spectroscopy of NiO in the crystal-field approximation (XAS, PES, RXD, NIXS, RIXS) Powerpoints different types of spectroscopy talk 1 different types of spectroscopy talk 2 Tutorials tutorials NiO crystal field approximation	Hands-on tutorials Polarization dependence and tensor formulation of XAS, RIXS and NIXS Tutorials tutorials polarisation dependence and tensor formulation of XAS and RIXS (linear and quadratic response functions)	Hands-on tutorials Density functional theory calculation of NiO: bands, DOS, Wannier functions Documentation FPLO documentation FPLO Wannier function documentation Tutorials see the afternoon session External Tutorials FPLO tutorials by Klaus Koepernik and Deepa Kasinathan	Hands-on tutorials Double cluster
12:30 - 13:30		Lunch	Lunch	Lunch	Lunch	Lunch
13:30 - 15:00		Lecture M.-A. Arrio Crystal-field theory and multiplets Powerpoints lecture slides	Lecture F. de Groot Atomic multiplets and XPS Powerpoints XPS and CTM4DOC Codes CTM4DOC	Lecture M. Retegan Calculations using Crispy, a graphical interface Codes Crispy	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 Background literature Tables of Crystal-field potentials in the different point-groups powerpoints The size of spin orbit coupling and some other background on spin-orbit interaction tutorials tutorials crystal field theory, temperature and magnetism	Hands-on tutorials X-ray spectroscopy of NiO in the ligand-field approximation (XAS, PES, RXD, NIXS, RIXS) Tutorials tutorials NiO Ligand field approximation	Hands-on tutorials Calculations using Crispy	Hands-on tutorials From DFT to MLFT powerpoints From DFT to MLFT tutorials LDA+MLFT for NiO and CrF4 tutorial including the DFT results - you do not need FPLO to run these
	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.

Ying Li - Role of Hydrogen in the spin-orbital-entangled quantum liquid candidate H3LiIr2O6
Abdul-Vakhab - Observation of superparamagnetism in V:(Bi,Sb)2Te3 by means of XMCD
Benjamin Katter - Orbital surface reconstruction on SrTiO3 studied with resonant x-ray reflectometry
Michael Dettbarn - Valence profiling of LaMnO3 by use of Crystal Field Theory
Tamás Rozgonyi - Theoretical investigation of functional Fe(II) complexes
David Bracher - Probing antiferromagnetic order in individual 3d transition metal oxide nanoparticles
Abhishek Nag - Looking at phonons in Cuprate chains using RIXS
Gyory Vanko - Laboratory X-ray Absorption Spectroscopy
Steffen Backes - Ab-initio theoretical spectroscopy from GW+DMFT
Yi Lu - When is FY equal to XAS
Martin Braß - Ab into calculation of the calorimetric electron capture spectrum of 163 Holmium
Simon Heinze - Calculation of the dynamics of a single Carbon atom