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Time-dependent density functional theory (2005)

Organizers: Peter Weinberger (TU Vienna), Joachim Burgdörfer (TU Vienna), Robert Hammerling (TU Vienna), Norbert Mauser (WPI, U, Vienna), Armin Scrinzi (TU Vienna)

Time-dependent density functional theory and time-dependent optical spectroscopy

Time-dependent phenomena are becoming increasingly important in now-a-days solid state theory and materials science, for example in view of up-coming technologies based on ultrafast laser pulses in the optical regime, and similarly, in the interaction of super-intense few-cycle laser pulses with few-electron systems (atoms, molecules, and quantum dots). Since up-to-now ab-initio theories of optical spectroscopy are based either on the so-called near equilibrium approximation with a correct (realistic) description of the system to be investigated (semi-infinite solids), or on the use of a time-dependent Schrödinger equation for very simplified models, it seems appropriate to start to include time-dependent density functional theory (TDDFT) in proper solid state theories. Also for quantum transport in semiconductor theory an approach like TDDFT that reduces the numerically intractable many particle problem to a system of effective one particle problems is a considerable simplification of the fundamental many body time dependent Schrödinger equation or approximations like TDHF (time dependent Hartree Fock), MCTDHF (Multi Configuration TDHF),… Time-independent DFT is based on the Hohenberg-Kohn Theorem and variational principle and an idea of Kohn and Sham. The Hohenberg-Kohn Theorem states that the electronic density in the ground state of a system of N electrons subject to an external potential is not the ground state density for any other potential. Since the density determines the unique external potential that gives rise to it, every physical property of the ground state is determined by the density. The occurring functionals, in general, are nonlocal in space and time, and to find the density functionals is the key problem, of course. In Vienna, several groups in physics and mathematics perform research in the direction of TDDFT. This programme aims to invite international researchers to collaborate with these groups in small scale working groups and in 2 mid scale events (school+workshop, computerlab) and hence also enhance the interaction among these groups. In particular, the interaction of mathematicians with physicists should help both to put TDDFT on a more solid mathematical foundation and to improve numerical algorithms.


4th Pauli Colloquium

Location: TNF lecture room
Chemiehochhaus, 1st floor
TU Wien, Getreidemarkt 9, 1060 Wien
Time: 31. Mar 2006 (Fri) - 31. Mar 2006 (Fri); Opening: 15:00
15.30: N.J. Mauser (WPI c/o Faculty for Mathematics, Uni Wien)
"Introduction and Short Presentation of the WPI"
15.45: Hardy Gross (Theoretische Physik, Freie Universität Berlin)
"Time-dependent density functional theory"
16.45 J. Burgdörfer (TU Wien, Inst.Theoret.Physik)
"TDDFT research at the TU Wien"
contact: Robert Hammerling
Remark: Coffee and Tea from 15.00 on

Lecture Series in 'Time dependent density functional theory' by Prof.H.Gross

Location: CMS Seminarraum
1060 Gumpendorferstr.1A, 5.floor
Time: 22. Mar 2006 (Wed) - 7. Apr 2006 (Fri); Opening: 8:30
Wednesday 22.3., 29.3, 5.4. Friday 24.3., 31.3., 7.4. 8.30am-10am (sharp)
Robert Hammerling, Norbert Mauser
Remark: additionally there will be a seminar

Lecture series "Aspects of time dependent density functional theory"
by Balazs Gyorffy

Location: CMS, Center for Computational Materials Science
1060 Gumpendorferstr 1A, 5th floor
Time: 17. Jun 2005 (Fri) - 24. Jun 2005 (Fri); Opening: 15:00
time dependent density functional theory
a physicists point of view
CMS, Center for Computational Materials Science
Balazs Györffy
Robert Hammerling
Peter Weinberger
Remark: Balazs Györffy is current Pauli fellow
contact Robert Hammerling at rh@cms.tuwien.ac.at

Talks in the framework of this thematic program... (by date) , (by name)

Pauli Fellows

De Souza, Patricia Lustoza 1. Jan 2006-31. Mar 2006 local address 
Gyorffy, Balazs 1. May 2005-31. Mar 2006 local address 


Besse, Christophe 11. Jul 2005-13. Jul 2005 local address 
Besse, Nicolas 7. Jul 2005-23. Jul 2005 local address 
Bourgade, Jean Pierre 4. Jul 2005-8. Jul 2005 local address 
Drchal, Vaclav 23. Jan 2006-27. Jan 2006 local address 
Kohn, Walter 29. Sep 2005-31. May 2005 local address 
Lange, Horst 20. Feb 2006-26. Feb 2006 local address 
Lazarovits, Bence 1. May 2005-31. Aug 2005 local address 
Rasing, Theo 14. Nov 2005-14. Nov 2005 local address 
Reining, Lucia 17. Oct 2005-17. Oct 2005 local address 
Szunyogh, László 2. Jan 2006-31. Mar 2006 local address 
Teismann, Holger 20. Feb 2006-24. Feb 2006 local address 
Varro, Prof. Sandor 29. Nov 2005-1. Dec 2005 local address 
Wiesendanger, Roland 21. Nov 2005-22. Nov 2005 local address 

Long Term Visitors

Gross, Hardy 1. Mar 2006-15. Apr 2006 local address 


Bardos, Claude 1. Jan 2006-31. Mar 2006 local address 
Gottlieb, Alexander 1. Sep 2005-30. Nov 2005 local address 
1. Jan 2006-31. Mar 2006 local address 
Gross, Hardy 1. Mar 2006-31. Mar 2006 local address 
Hammerling, Robert WWTF Mauser , co-organiser of TDDFT thematic program 1. May 2005-31. Mar 2006 local address 
Stimming, Hans Peter WWTF Mauser 1. Jan 2006-31. Mar 2006 local address 
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