[Todos] Sminario HOY

[lili en df.uba.ar]

Estan todos cordialmente invitados al seminario:

``Quantum Chemistry in the Age of the Second Coming of Plastics''

S. Ramasesha
Solid State and Structural Chemistry Unit
Indian Institute of Science, Bangalore 560 012

Lunes 27 de Octubre, 11:30 hs

Aula Federman - Pabellón I


ABSTRACT

The discovery of molecular materials, which exhibit electronic and  
magnetic properties
that were the preserve of simple inorganic solids, in the last few  
decades, has offered a
grand challenge to quantum chemists. Theoretical studies of these  
systems, which require
inventing new models and new techniques, have provided a paradigm  
shift in quantum
chemistry. In this colloquium, the focus will be on the electronic and  
magnetic
properties of pi- conjugated and other molecular materials. A brief  
outline of the new
developments in numerical quantum many-body techniques to deal with  
molecular systems,
with particular emphasis on contributions from our group, will be  
presented. Application
of these methods to some of the most important issues in the  
electronic structure of
conjugated materials such as, higher harmonic generation in molecules,  
ordering of energy
levels in conjugated systems, exciton binding energy in conjugated systems,
singlet-triplet branching ratio in electron -hole recombination and  
quantum resonant
tunnelling in molecular magnets will be discussed.