Born-Oppenheimer approximation and accuracy of molecular dynamics
Petr Plechac

Abstract: I shall present some recent results from the joint work with C. Bayer, H. Hoel, A. Szepessy and R. Tempone concerning accurate approximation of Schroedinger observables in molecular systems with an electron spectral gap. The presented work will give a different perspective on the Born-Oppenheimer approximation, Schroedinger Hamiltonian systems and numerical simulations in molecular dynamics at micro-canonical ensemble.