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Theory Days on Current-Density Functional Theory

Toulouse Nov 28-30 2012

par Mai Seve-Dinh - 19 avril 2012

Scientific program

Wed 14:30 – 15:30 Laurens Molenkamp HgTe as a topological insulator Physics Institute, EP3, University of Würzburg (Würzburg, Germany),
Wed 15:30 – 16:30 Valérie Véniard Microscopic-macroscopic connection : link with TDCDFT Laboratoire des Solides Irradiés, Ecole polytechnique (Palaiseau, France),
Wed 16:30 – 17:30 Eberhard Engel Application of the exact exchange to solids Center for Scientific Computing, Goethe University (Frankfurt am Main, Germany),
Thu 09:00 - 10:00 Arjan Berger TDCDFT for extended systems Laboratoire de Chimie et de Physique Quantiques, Université Paul Sabatier (Toulouse, France),
Thu 10:00 – 11:00 Carsten Ullrich TDCDFT and plasmon damping : breakdown of the local density approximation in quasi-2D systems Department of Physics and Astronomy, University of Missouri (Columbia, Missouri, USA),
Thu 11:00 – 12:00 Roberto D’Agosta Relaxation and energy dissipation in TDCDFT Centro Joxe Mari Korta (San Sebastian, Spain),
Thu 12:00 – 13:00 Jose-Maria Escartin Exploring TDCDFT in real time Laboratoire de Physique Théorique, Université Paul Sabatier (Toulouse, France),
Thu 14:30 – 15:30 Giovanni Vignale The application of TDCDFT to the calculation of the electrical resistance of large and small conductors Department of Physics, University of Missouri (Columbia, Missouri, USA),
Thu 15:30 –16:30 Trygve Helgaker Current density-functional theory — the choice of variables and convex conjugation Department of Chemistry, University of Oslo,
Thu 16:30 - 17:30 Paul-Gerhard Reinhard Currents in nuclear density functional phenomenology Institute for Theoretical Physics, University Erlangen-Nuremberg (Erlangen, Germany),
Fri 09:30 – 10:30 Paul de Boeij On the existence and uniqueness of the current-density to vector-potential mapping in TDCDFT Scientific Computing & Modeling (Amsterdam, The Netherlands),
Fri 10:30 – 11:30 Ilya Tokatly V-representability in the time-dependent CDFT University of Basque Country (San Sebastian, Spain),
Fri 11:30 – 12:30 Omar Morandi Quantum semirelativistic models for light-matter interaction IPCMS - Département d’Optique ultrarapide et de Nanophotonique (Strasbourg, France),
Fri 12:30 - 12:45 Concluding remarks

Aim and objectifs

Following the tradition of the previous successful three meetings (2009-2011), the Workshop aims to stimulate constructive discussions, collaborations, and knowledge exchange among a selected group of theoreticians. This year the workshop will be devoted to the field of current-density functional theory. This approach, is a natural extension of the highly successful density functional theory (DFT).

The basic idea of these densities-based approaches is to replace the many-body problem with an effective one-particle description in which the many-body effects of the system enter through an exchange-correlation potential that is a functional of the density or current-density of the system. This functional is not known and needs to be approximated. Unlike DFT, CDFT allows one to treat transverse fields, to properly describe extended/periodic systems, and to search for accurate xc functionals that are local in the current-density instead of being nonlocal in the density. Moreover a current-density based theory offers a natural set for a fully relativistic formulation, which, besides the treatment of relativistic effects, allows for a unified theory of spin and charge dynamics. This opens the way to the study of many impressive phenomena in the rising field of spintronics and beyond.

Therefore in this workshop we will focus on the recent advances in current-density functional theory, in particular in relation to spin/charge dynamics, relativistic effects, magnetic response, nonlinear dynamics, and xc functionals.

We plan to gather people from various groups working in this domain, mostly in western Europe. The workshop is intended to be a working forum, thus rather informal. The format will consist in a series of long detailed talks, typically 1 hour (40 mn talk + 20 mn for questions) focusing in particular on ongoing problems and open ends. Some free time will furthermore be reserved for collective discussions. We thus urge participants to prepare their talks in this spirit. Ultimately a most efficient organization would consist in having a limited number of talks per representative group in order to avoid doublings.

If a consensus is reached during the workshop it would be highly profitable to envision a sequel to this workshop in order to possibly establish, at best collaborative links between the various groups with possible exchange of researchers and students, at least an ongoing follow up of progress in the field.

Practical aspects

Registration and lodging

We cover lodging, meals, and local transportation during the duration of the workshop (arrival Nov 28, departure Nov 30). The participants should then note that the travel costs will not be covered.

Participants will be lodged at the hotel Riquet in Toulouse, in between the metro station Marengo SNCF on line A and the Jean Jaurès station on line B.

The metro line B connects downtown to university. Travel takes about 15 minutes with trains every few minutes (less than 5 min). Participants will be given metro tickets when arrived at the workshop place. Meeting will take place at IRSAMC in the University Campus, see map below. Metro tickets will be provided to all participants.

Lunches will take place in a restaurant of the university and will be covered. Dinners, also covered, will take place at the Brasserie Flo Les Beaux Arts, downtown near the Garonne River.

Access to Toulouse


Toulouse airport is connected to major west European airports and hubs (Paris Orly and Roissy Charles de Gaulle, Munich, Frankfurt, London, Amsterdam) with regular connections by Air France/KLM, Lufthansa, British Airways for the major companies and also with connections by (Low Cost) Easy Jet. Plane provides by far the simplest access to Toulouse with reasonable fees for sufficiently early booking.

There is an airport shuttle to downtown (first stop at Compans Caffarelli, on line B of metro) every 20 mn (cost is 5 euros one way, 8 euros return trip). As soon as one catches the shuttle, it takes about half an hour to get to the University thanks to the connection with line B at Compans Caffarelli station.

An alternative access is provided by Carcassone airport (about 45 minutes by car from Toulouse) which has a Low Cost access through Ryanair.


Central station is Toulouse Matabiau connected to line A of metro, and is connected to major french cities.


Metro and bus connections (general) : website of Tisseo company.