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.
Events
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Location: TNF lecture room
Chemiehochhaus, 1st floor
TU Wien, Getreidemarkt 9, 1060 Wien
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Time: 31. Mar 2006 (Fri) - 31. Mar 2006 (Fri); Opening: 15:00
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Topics:
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"
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Organisation(s)
WPI and CMS |
Organiser(s)
contact: Robert Hammerling
rh@cms.tuwien.ac.at |
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| Remark: Coffee and Tea from 15.00 on | |
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Location: CMS Seminarraum
1060 Gumpendorferstr.1A, 5.floor
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Time: 22. Mar 2006 (Wed) - 7. Apr 2006 (Fri); Opening: 8:30
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Topics:
Wednesday 22.3., 29.3, 5.4.
Friday 24.3., 31.3., 7.4.
8.30am-10am (sharp)
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Organisation(s)
CMS and WPI |
Organiser(s)
Robert Hammerling, Norbert Mauser |
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| Remark: additionally there will be a seminar | |
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Location: CMS, Center for Computational Materials Science
1060 Gumpendorferstr 1A, 5th floor
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Time: 17. Jun 2005 (Fri) - 24. Jun 2005 (Fri); Opening: 15:00
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Topics:
time dependent density functional theory
a physicists point of view
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Organisation(s)
CMS, Center for Computational Materials Science
WPI |
Organiser(s)
Balazs Györffy
Robert Hammerling
Peter Weinberger |
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Remark: Balazs Györffy is current Pauli fellow
contact Robert Hammerling at rh@cms.tuwien.ac.at | |
Pauli Fellows
Visitors
| Besse, Christophe |
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11. Jul 2005-13. Jul 2005 |
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| Besse, Nicolas |
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7. Jul 2005-23. Jul 2005 |
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| Bourgade, Jean Pierre |
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4. Jul 2005-8. Jul 2005 |
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| Drchal, Vaclav |
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23. Jan 2006-27. Jan 2006 |
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| Kohn, Walter |
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29. Sep 2005-31. May 2005 |
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| Lange, Horst |
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20. Feb 2006-26. Feb 2006 |
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| Lazarovits, Bence |
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1. May 2005-31. Aug 2005 |
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| Rasing, Theo |
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14. Nov 2005-14. Nov 2005 |
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| Reining, Lucia |
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17. Oct 2005-17. Oct 2005 |
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| Szunyogh, László |
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2. Jan 2006-31. Mar 2006 |
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| Teismann, Holger |
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20. Feb 2006-24. Feb 2006 |
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| Varro, Prof. Sandor |
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29. Nov 2005-1. Dec 2005 |
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| Wiesendanger, Roland |
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21. Nov 2005-22. Nov 2005 |
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Long Term Visitors
PostDocs