Campuses:

Dogmatic and pragmatic spirits in time-dependent density<br/><br/>functional theory

Thursday, January 15, 2009 - 11:40am - 12:10pm
EE/CS 3-180
Roi Baer (Hebrew University)
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).
MSC Code: 
11R45
Keywords: