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CECAM School "Theoretical Spectroscopy Lect ... (No replies)

3 weeks ago
francesco 3 weeks ago

The CECAM School on
"Theoretical Spectroscopy Lectures: theory and codes"
reaches the 7th edition and takes place from 8th to 12th of October, 2018 at the
CECAM-HQ-EPFL, Lausanne, Switzerland.

Electronic excitations are probed by experimental techniques such as optical absorption,
EELS and photo-emission (direct or inverse). From the theory point of view, excitations
and excited state properties are out of the reach of density-functional theory (DFT),
which is a ground-state theory. In the last twenty years other ab-initio theories and
frameworks, which are able to describe electronic excitations and spectroscopy, have
become more and more used:
time-dependent density-functional theory (TDDFT) and
many-body perturbation theory (MBPT) or Green's function theory
(GW approximation and Bethe-Salpeter equation BSE).

In fact, computational solutions and codes have been developed in order to implement these
theories and to provide tools to calculate excited state properties.The present school
focuses on these points, covering theoretical, practical, and also numerical aspects of
TDDFT and MBPT, and codes implementing them (ABINIT, DP, EXC, 2Light, Lumen).

- Spectroscopy techniques. Connection between microscopic and macroscopic worlds.
- Density Functional Theory: basics concepts, pseudo-potentials, functionals.
- Many-body Perturbation theory: GW approximation, COHSEX, Bethe-Salpeter Equation (BSE)
- Time Dependent Density Functional Theory: basic concepts, kernels, connections with BSE.
- Out-of-equilibrium spectroscopy: harmonic generation and sytem under intense laser fields

The presentation of the theory will be followed by practical classes and hands-on tutorials.
At the end of the school, students will have sufficient working knowledge to pursue their
projects at their home institution.
The participants are expected to have a fair knowledge of DFT prior to the school
and to be familiar with one plane-wave pseudopotential based software.
Indeed, although at the beginning of the school, we will make sure that the DFT level of all
participants is enough in this respect and provide the needed complementary information and
training, the purpose of the school is to go beyond DFT, with hands-on exercises based on
plane-wave implementations.

The deadline for application is on 15 September 2018, but giving the limited number of places
(around 25) many applications will be considered even before the deadline. Especially student
candidates coming from outside EU are encouraged to register soon: an answer
to them will be given as soon as possible for VISA and traveling purposes.

In order to apply for the school, please go to

Francesco Sottile, Gian-Marco Rignanese, Valerio Olevano

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Ab initio (from electronic structure) calculation of complex processes in materials