Demixing and cleaning of wave functions by projection, application to the assignment of molecular vibrations.
It is shown how the projection of a quantum mechanical state into an appropriate subspace of the Hilbert space can be useful for the classification and the assignment of states. The projection cleans the wave function and decomposes mixtures caused by near-accidental degeneracy. The idea is applied to vibrational states of the molecule CF(3)CHFI obtained from an algebraic Hamiltonian.
Jung
Christof
C
Instituto de Ciencias Fisicas, Universidad Nacional Autonoma de Mexico, Av. Universidad s/n 62251 Cuernavaca, Mexico. jung@fis.unam.mx