[Todos] seminario fisica - quimica cuantica

[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.