Multiconfigurational wavefunctions and the solution to molecular biophysics puzzles

by Dr Francesco Aquilante, (Geneva University, Switzerland)

Monday 21 Dec 2009, 12:00 → 14:00 Europe/Rome

Aula 7 (Dip. di Fisica - Edificio E. Fermi)

As a result of recent developments, some of the most robust ab initio electronic structure methods can now be afforded for molecules in the hundred atoms regime. In particular, multiconfigurational wavefunction methods appear ready to help us unveil the electronic structure of many transition metal complexes of interest in biophysics and biochemistry. The talk will cover some personal contributions in making such advances possible.