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An exterior complex rotated coupled channel description of predissociation in diatomic molecules applied to a model of the four lowest (2)Sigma(+)-states in CaH
KTH, Superseded Departments, Numerical Analysis and Computer Science, NADA.
2002 (English)In: Physica Scripta, ISSN 0031-8949, E-ISSN 1402-4896, Vol. 65, no 4, 306-322 p.Article in journal (Refereed) Published
Abstract [en]

The exterior complex rotated Coupled-Channel formulation of potential scattering makes it possible to calculate energies and widths for a non-adiabatic model of a diatomic molecule or quasimolecule, The structure and decay pattern of a diatomic system is in this way described in a non-perturbative way. In this contribution we use the non-adiabatic form of an empirically derived potential energy curve matrix, previously used by Martin, J. Chem. Phys. 88, 1997 (1988) [1], for the four lowest (2)Sigma(+)-states of the CaH radical to demonstrate how one can calculate term positions as well as non-radiative decay widths in a realistic case for a large range of rovibronic levels. The differences between the previously derived Born-Oppenheimer term values [1] and the present non-adiabatic results are discussed and compared with previous work.

Place, publisher, year, edition, pages
2002. Vol. 65, no 4, 306-322 p.
Keyword [en]
analytic interactions, charged ions, energies, systems, resonances, definition, spectrum, curves
Identifiers
URN: urn:nbn:se:kth:diva-21499ISI: 000175278500004OAI: oai:DiVA.org:kth-21499DiVA: diva2:340197
Note
QC 20100525Available from: 2010-08-10 Created: 2010-08-10 Last updated: 2017-12-12Bibliographically approved

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