29 Jan 2010; Mat-Nat Faculty (UiTø), seminar room 208 B, Breivang. Friday 14:15-16:00.

Tor Flå

"Models in molecular quantum mechanics and wavelets methods".

I will review some models in molecular quantum mechanics including exchange potentials, dispersion and polarization and their corresponding energy functionals. I will formulate perturbation theory based on these functionals. Then I will discuss how to obtain efficient algorithms for the construction of electronic orbitals based on an integral reformulation, separation of variables and the nonstandard representation of operators.