Title: Quantum computation of molecular electronic and vibrational transitions Speaker: Ove Christiansen, Department of Chemistry, Aarhus University Time: Thursday, December 2, 15.15 to 16.00 Place: Fysisk Auditorium Abstract: In this talk I will first consider some of the key aspects behind the success of modern quantum chemistry. I will then focus on our recent work on two issues in the quantum theoretical and computational treatment of molecular systems that so far have been less developed. The first of these is the study of environmental effects. We will describe how quantum mechanical theories can be combined with classical electrostatics to describe solvent effects on electronic transitions and electronic transitions in proteins. Finally I describe our work on the quantum treatment of many distinguishable degrees of freedom. This brings us to the theoretical description of vibrational spectroscopy in an anharmonic framework. Jacob Sherson and Aurélien Dantan Coffee, tea and cake will be served at 15.05 Dr. Jacob Friis Sherson Institut for Fysik og Astronomi Aarhus Universitet Ny Munkegade 120 8000 Århus C Tel.:8942 3680