ELECTRONIC STRUCTURE CALCULATIONS FOR SOLIDS, SURFACES, MOLECULES AND
ATOMS
Prof T Rantala
Department of Physics, Tampere University of Technology, Tampere, Finland
http://www.tut.fi/semiphys
Lundi 14 setembre 2009, 11h00
An overview of research activities in our group based on various type
of electronic structure calculations is given, first. Then, a brief
introduction to the methods we use follows. These include approaches
from DFT to QMC. Finally, selected topics related to properties of
semiconductors, photoabsorption of biomolecules, adsorbates on
surfaces and full quantum account of "small systems" in finite
temperature will be very briefly considered.