This report details extensions and further analysis of the results presented in an earlier study (Elander et al, Phys Rev A 2001, 64, 012505). Rovibrational resonances in a model of the triatomic van der Waals complex NeICl were studied with a full quantum mechanical, smooth exterior dilation technique realized in a three-dimensional finite element code. Both exact and approximate results, where Coriolis effects are neglected, are presented, and their structures are discussed. Although the helicity is a good quantum number in a one-equation approximation, it is here demonstrated that this is not in the case when including Coriolis coupling, that is, couplings to other helicity components. The behavior of the resonance widths and the positions together with the structure of the resonance wave functions and their dependence on the total angular momentum and its projection have been studied. The dependence of the width of a given resonance on the total angular momentum was found to be weak while the dependence on the helicity is stronger.

Original languageEnglish
Pages (from-to)459-468
Number of pages10
JournalInternational Journal of Quantum Chemistry
Volume109
Issue number3
DOIs
StatePublished - 2009

    Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

    Research areas

  • Complex scaling, Convergence, Finite element, Resonance, Three-body system

ID: 5023467