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Volume 13: Pages 265-271, 2000
Calculation of a Preconvolved HD Photoionization Spectrum Using the Rovibrational Frame Transformation
Edward L. Hamilton 1, Chris H. Greene 1, J. A. Stephens 2
1Department of Physics and JILA, University of Colorado, Boulder, Colorado 80309‐0440 U.S.A.
2Nuclear Data Section, Department of Nuclear Sciences and Applications, International Atomic Energy Agency, P.O. Box 100, Wagramer Strasse 5, A‐1400 Vienna, Austria
We apply a multichannel quantum defect approach to describe many of the experimentally observed peaks in the HD photoionization cross‐section above the ionization threshold. This method employs a rovibrational frame transformation between the short‐ and long‐range coupling representations to quantitatively predict the breakup into physical fragmentation channels in terms of a small set of bound‐state parameters that define a short‐range scattering matrix. Using a preconvolution technique developed by Robicheaux, we enforce asymptotic boundary conditions in a way that replicates the effect of a finite experimental resolution. Our results quantitatively describe many complex resonant features observed by Dehmer and Chupka. Inconsistencies between the theoretical and experimental spectra appear to mainly reflect our neglect of competing predissociation channels, as well as the breakdown of approximate g‐u symmetry that occurs increasingly at large intemuclear distances.
Keywords: quantum defect theory, frame transformation, HD photoionization, preconvolution, scattering matrix
Received: June 14, 2000; Published online: December 15, 2008