TITLE:

PRAGMATIC AND DOGMATIC SPIRITS IN TIME-DEPENDENT DENSITY FUNCTIONAL THEORY OF ELECTRONS IN MOLECULAR SYSTEMS

DATE:

Friday, September 19th, 2008

TIME:

3:30 PM

LOCATION:

GMCS 214

SPEAKER:

Roi Baer, Professor, Institute of Chemistry and The Fritz Haber Center for Molecular Dynamics, The Hebrew University of Jerusalem

ABSTRACT:

The principles of density functional theory (DFT) and time-dependent DFT (TDDFT) will be reviewed. On the dogmatic side the time-dependent density to potential mapping in quantum mechanics will be discussed. A recently discovered problem of non-existence in TDDFT will be presented. On the pragmatic side, the adiabatic approximation and its robustness in TDDFT will be discussed. Finally, if time permits a discussion of self-repulsion and its cure will also be presented along with some numerical results.

HOST:

Peter Salamon

DOWNLOAD: