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Up Directory CCL 08.08.31 Workshop on Time-Dependent Density-Functional Theory: Prospects and Applications, Benasque Center for Physics, Spain
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Date: Mon Feb 18 14:16:12 2008
Subject: 08.08.31 Workshop on Time-Dependent Density-Functional Theory: Prospects and Applications, Benasque Center for Physics, Spain

      Time-Dependent Density-Functional Theory: Prospects and

                      August 31st to September 14th 2008

                      Benasque Center for Physics, Spain



*) E. K. U. Gross
     Institut fuer Theoretische Physik
     Freie Universitaet Berlin
     Arnimallee 14, D-14195 Berlin, Germany
     Phone: +49-30-838-54784
     Fax: +49-30-838-55258
     Mail: hardy]![

*) Miguel A. L. Marques
     Laboratoire de Physique de la Mati_re Condens_e et des
     Universit_ Lyon I, UMR CNRS 5586, B_timent Brillouin,
     Domaine scientifique de la DOUA, Villeurbanne F-69622, France.
     Mail: marques]![

*) Fernando Nogueira
     Dep. de F_sica, Faculdade de Ci_ncias e Tecnologia,
     Universidade de Coimbra and
     Centro de F_sica Computacional
     Rua Larga, 3004-516 Coimbra, Portugal
     Phone: +351-239410114
     Fax: +351-239829158
     Mail: fnog]![

*) Angel Rubio
     Dpto. Fisica de Materiales, Facultad de Quimicas U. Pais Vasco,
     Centro Mixto CSIC-UPV/EHU and
     Donostia International Physics Center (DIPC)
     Apdo. 1072, 20018 San Sebastian/Donostia, Spain
     Phone: +34-943018292
     Fax: +34-943015600
     Mail: arubio]![


The "School and Workshop on Time-Dependent Density Functional Theory"
was first hosted by the Benasque Center for Science, Spain from August
to September 12th, 2004. The aim of the school was to introduce
practical, and numerical aspects of time-dependent density-functional
(TDDFT) to young graduate students, post-docs and even older scientists
were envisaging a project for which TDDFT would be the tool of choice.
outstanding success of this school led to the organization of a second
event, held once more in Benasque, from August 27th to September 11th,

This school is also part of a more general training effort conducted at
European level through the Psi-k Marie Curie Series of Events (Psi-k
in Computational Nanoscience) and the NANOQUANTA network of Excellence.

The school will be followed by an international workshop, where the new
developments of TDDFT and Many-Body Techniques for the calculation of
excitations will be discussed. Students attending the school will be
encouraged to attend the workshop, so they can get in contact with state
the art research in the field. The purpose of the workshop is to bring
together leading experts in all these fields with different backgrounds,
density functional,
many-body, nuclear physics, quantum chemists, and biophysicists. This
allow the exchange of ideas between the different fields and the
creation of
links between the traditionally separated communities.  We believe that
intense and informal discussion which is possible in this kind of
can contribute to the formation of a strong community in the field of

Tentative program for the school:

The school will be attended by a maximum of around 40 students, and will
9 days, with theoretical sessions (mostly) in the mornings and practical
(tutorial) sessions in the afternoons. The theoretical sessions will
of four lectures lasting for 45m each (including discussions).
The practical sessions will last for 3 hours and a computer will be
for every two students. This will allow the students to have some time
day for studying and talking to the teachers.
The program of the school starts with basic TDDFT, then continues with
more complex theoretical and numerical aspects of TDDFT, and will end
with an
outline of some of its many applications. Basic knowledge on ground
state DFT
calculations is required. Also during the school we will address other
approaches to describe excite state properties based on either many-body
perturbation theory or quantum-chemistry schemes.

The preliminary program is:

31/8  a: Registration

1/9   m: TDDFT (2 x 45m, T)
           Overview of spectroscopies (45m, T)
           Many-Body - GW (45m, T)
        a: Introduction to the practical classes
           Introduction to the codes

2/9   m: Overview of spectroscopies (45m, T)
           TDDFT (45m, T)
           Many-Body - GW (45m, T)
           Many-Body - BSE (45m, T)
        a: Quantum Dots I (3h, P)

3/9   m: TDDFT (45m, T)
           Overview of spectroscopies (45m, T)
           Propagation schemes (45m, T)
           Many-Body - BSE (45m, T)
         a: Quantum Dots II (3h, P)

4/9   m: Advanced TDDFT (45m, T)
           Models for time-dependent phenomena (45m, T)
           Overview of spectroscopies (45m, T)
           TDDFT as a tool in chemistry (45m, T)
         a: Quantum Dots III (3h, T)

5/9    : Free day

6/9   m: TDDFT as a tool in chemistry (45m, T)
           Models for time-dependent phenomena (45m, T)
           Advanced TDDFT (45m, T)
           Current DFT (45m, T)
         a: OCTOPUS I (3h, P)

7/9   m: TDDFT as a tool in chemistry (45m, T)
           Optimal control theory (45m, T)
           Current DFT (45m, T)
           Models for time-dependent phenomena (45m, T)
         a: OCTOPUS II (3h, P)

8/9    m: TDDFT vs. Many-Body (45m, T)
            TDDFT as a tool in chemistry (45m, T)
            TDDFT as a tool in biophysics (45m, T)
            Advanced TDDFT (45m, T)
         a: ABINIT+SELF I (3h, P)

9/9    m: TDDFT vs. Many-Body (45m, T)
            Models for time-dependent phenomena (45m, T)
            TDDFT as a tool in biophysics (45m, T)
            Current DFT (45m, T)
          a: ABINIT+SELF II (3h, P)
            Final Remarks

10/9     : Free day

During the school we will incentive a close and informal contact between
students and the teachers. Furthermore, the students will be stimulated
talk about their current research activities and future interests. We
that this is an important point, since young scientists should be
involved in
the building
up of a strong community.

The preliminary program of the workshop is:

The 4 day workshop will start September 10, 2008 in the afternoon and
end September 14 in the morning. It will include both invited talks on
aspects of TDDFT (45m each), contributed talks (30m) and a poster
The tentative We plan an informal workshop with sufficient time for
discussions. The informal
character of the talks will be encouraged and presentations which are
tutorial, given the mixed character of the audience, are most welcome.
time for each talk will be divided into 75% for the presentation plus
discussion of discussion. Speakers will be encouraged to divide their
available time into two separate parts if their topic falls under more
one heading.

We will select some posters from the young researchers participating in
workshop to be presented as oral communications.

The update list of invited speakers and teachers  can be found at


We plan to organize this event at the ``Benasque Center for Science'',
Benasque, Spain, from August 31, 2008 to September 14, 2008. Benasque is
a beautiful town in the heart of the Pyrenees. The school will take
place from August 31 (Day 0 - arrival of students for the school) to
September 10, and the workshop will start September 10 (arrival of
participants to the workshop) and finish on
September 14 (departure of all participants).  See


The call for participation will be mainly directed to students and
specialized on computational physics, quantum chemistry and biophysics.
will limit the number of students to the school to 40 and participants
to the
workshop to less than 100, in order to ensure a maximum interaction
all the scientists participating. Attendance of graduate students and
will be strongly encouraged through the inclusion of short contributed
and a poster session.  Furthermore, we will award to PhD students who
an outstanding poster short oral presentations.
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