Coarse grained spectra, dynamics and quantum phase space structures of H 3
Titel:
Coarse grained spectra, dynamics and quantum phase space structures of H 3
Auteur:
de Polavieja, Gonzalo Garcia Fulton, Nicholas G. Tennyson, Jonathan
Verschenen in:
Molecular physics
Paginering:
Jaargang 83 (1994) nr. 2 pagina's 361-379
Jaar:
1994-10-10
Inhoud:
A fully quantum-based assignment system is presented and applied to 3D H+3 vibrational calculations. By analysing eigenstates in phase space using the Husimi function, dynamical information is used to find hidden localizations in groups of eigenfunctions. Localization onto several types of periodic orbit is described, including the excited horseshoe motion which has been suggested as an explanation of the features in the H+3 photodissociation spectrum of Carrington, A., and Kennedy, R. A., 1984, J. chem. Phys., 81, 91. However, other localizations are found at the dissociation energy which should not be ignored in the explanation of the Carrington-Kennedy spectrum.