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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 33, Number 3
BKCSDE 33(3)
March 20, 2012 

Study of the Resonance Structures of the Preionizing Spectrum of Molecular Hydrogen by Phase-shifted Multichannel Quantum Defect Theory
Chun-Woo Lee
Phase-shifted MQDT, Overlapping resonances, Preionization of H2, Interlopers
The resonance structure of the preionization spectrum of H2 in the region immediately above its H2 + ionization threshold, converging toward its rotationally excited limit, is complicated due to perturbation by the vibrationally excited levels 7pπ v = 1 and 5pπ v = 2. The spectra of interlopers are separated from the rotationally preionizing Rydberg series to allow analysis of this complex resonance structure. Although only two vibrationally excited levels perturb the rotational preionization spectrum, at least 6 interloper Rydberg series participate in the complex spectrum over most of its energy range and more interloper series participate at a narrow range around 124500 cm−1 in the spectrum. To allow handling of an arbitrary number of interloper series, MATLAB®'s symbolic operation is used to perform on-the-fly formulation.
809 - 817
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