Hands-on workshop on excitations in solids and nano-structures from first-principles
The calculation of the excitation spectra of solids and nanostructures is of fundamental importance to interpreter and to understand the basic physical mechanisms that are probed in modern experimental techniques.
From the theory point of view, excitations and excited state properties are not properly described by the standard density-functional theory (DFT), which is a ground-state theory. For this reason, in the last years, efficient and reliable ab-initio theories and frameworks have been devised to describe electronic excitations. These new tools are becoming more and more used: time-dependent density-functional theory (TDDFT) and the Many-Body Perturbation Theory (MBPT) in the GW approximation and Bethe-Salpeter equation (BSE).
Nowadays different computational codes have implemented TDDFT, GW and BSE working on top of the Kohn-Sham states obtained with Ab-Initio ground-state codes, like Quantum ESPRESSO.
The aim of this hands-on workshop is to introduce advanced concepts of TDDFT, GW and BSE. Short introductory theoretical lectures will be followed by extensive hands-on classes. Participants will have the opportunity of testing on realistic systems the theoretical tools by using several public codes and dedicated tutorials. The codes that will be used are
The hands-on classes will be organized by developers and experienced users of the above codes.
The school will be attended by a maximum of around 40 participants. Bearing in mind that the aim of the present school is NOT to introduce the basic concepts of TDDFT and MBPT we require the applicants to have already a solid background in: DFT, TDDFT, MBPT (GW and BSE) and Solid state physics. Familiarity with the Unix environment is also a requirement for the participation in the school.
Applications should be submitted before September the 13th 2010. A short cv and indication of the scientific interests are mandatory in the application. Decisions about acceptance will be communicated shortly thereafter.