584. WE-Heraeus-Seminar: Green’s Functions in ab initio Electronic Structure of Solids: From Implementations to Applications

Green’s Functions in ab initio Electronic Structure of Solids: From Implementations to Applications

Su, 08.02.2015 18:30  –   We, 11.02.2015 14:00
C. Heiliger (U Gießen), P. Mavropoulos (FZ Jülich), I. Turek (IPM Brno/CZ)
Physikzentrum Bad Honnef
Hauptstr. 5, 53604 Bad Honnef, Germany

Event partner:
Wilhelm and Else Heraeus-Foundation
Contact person:
Prof. Dr. Christian Heiliger,


Successful research of new phenomena in modern condensed matter physics requires a strong interplay between theory, computer based calculations, and experiments. Within the theoretical description, ab initio methods are of particular interest. Such methods aim for a quantitative comparison to experiments without using experimental input except fundamental constants. Consequently, ab initio methods can not only help understand experiments, but have predictive power. Besides the basic electronic structure, e.g. band structure and density of states, these methods can be used to investigate a number of physical aspects: transport phenomena, atomic structure, magnetism, spectroscopy, and much more.

Most ab initio methods are based on density functional theory, wherein different approaches are used to solve the underlying equations. In addition to wave based methods the usage of the Green’s function of the system is an useful ansatz. In particular, Green’s function methods are predestined for the description of many-particle problems and out-of-equilibrium situations. Method development is a necessity for the description of new phenomena and for the improvement of existing methods.

The key intention of the 584. WEH-Seminar is to bring together developers working on ab initio methods based on Green’s functions. The idea is to discuss new technical developments but also to talk about technical issues and limitations. The seminar will have ample time for discussions and will strengthen existing collaborations or create new ones.

The number of participants is limited to about 70, so that registration as soon as possible is advisable.


Diana Benea Universität Babes-Bolyai, Rumänien
Hubert Ebert LMU München
Arthur Ernst MPI Halle
Martin Gradhand University of Bristol, U.K.
Jürgen Henk MLU Halle
Diemo Ködderitzsch LMU München
Calogero Natoli Laboratori Nazionali di Frascati, Rom, Italien
Masako Ogura Osaka University, Japan
Manuel dos Santos Dias FZ Jülich
Julie Staunton University of Warwick, U.K.
Laszlo Szunyogh Budapest University, Ungarn
Rudolf Zeller FZ Jülich