Convergence and Quantum Number Assignment Studies of Rovibrational Eigenstates in a Model of Predissociating NeICI van der Waals Complex
2009 (English)In: International Journal of Quantum Chemistry, ISSN 0020-7608, E-ISSN 1097-461X, Vol. 109, no 3, 459-468 p.Article in journal (Refereed) Published
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 NeICI 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 oil the total angular momentum was found to be weak while the dependence on the helicity is stronger.
Place, publisher, year, edition, pages
2009. Vol. 109, no 3, 459-468 p.
resonance, three-body system, complex scaling, finite element, convergence
IdentifiersURN: urn:nbn:se:su:diva-60385DOI: 10.1002/qua.21829ISI: 000262012700007OAI: oai:DiVA.org:su-60385DiVA: diva2:434768
authorCount :32011-08-162011-08-162011-08-16Bibliographically approved