Videos

Dogmatic and pragmatic spirits in time-dependent density functional theory

Presenter
January 15, 2009
Keywords:
  • Density theorems
MSC:
  • 11R45
Abstract
On the dogmatic spirit we discuss the issue applicability of adiabatic functional also in strong high frequency laser-fields. On the pragmatic side we explain the necessity of using a TUNED range-separated time-dependent and time independent density functional theory for difficult systems. For DFT we bring examples for symmetric cationic radicals, such as H2+, He2+, Ne2+, (H2O)2+ and (C6H6)2+ and for TDDFT we discuss charge transfer excitations as examples. A tuned range parameter theory is also capable of treating a variety of solids. Co-Authors in various parts of this work: Dr. Helen Eisenberg, Dr. Ester Livshits, Tamar Stein (Institute of Chemistry and the Fritz Haber Center for Molecular Dynamics, The Hebrew University of Jerusalem) Professor Leeor Kronik (Weizmann Institute of Science) Professor Anna Krylov (University of California).