Molecular vibrations, from the spectrum to the motion of the atoms

Christof Jung

Universidad Autonoma de Mexico.

Abstract: A strategy is presented for the classification of molecular vibrations
at high excitation in the nonlinear regime where the traditional
concepts of local or normal modes no longer make sense. The starting
point is an algebraic spectroscopic Hamiltonian fitted to the known
spectrum. First the organization elements of the classical dynamics
are identified. Then by semiclassical considerations each individual
quantum state is interpreted as quantum excitation of an appropriate
classical organization center