• Bulletin of the Korean Chemical Society
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• v.31 no.11
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• pp.3201-3211
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• 2010

Previous work on the phase-shifted version of the multichannel quantum-defect theory (MQDT) for a system involving 2 closed and many open channels (Lee, C.-W. Bull. Korean Chem. Soc. 2010, 31, 1669) was extended to obtain the formulae of the spectral shape parameters with the structure of a pole extracted explicitly for general cases only limited by 2 non-degenerate closed channels. The theory was applied to the narrow $6p_{1/2,3/2}np$ J = 1 autoionizing Rydberg series in barium perturbed by the $6p_{3/2}nf$ states obtained by de Graaff et al.

• Bulletin of the Korean Chemical Society
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• v.31 no.6
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• pp.1669-1680
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• 2010

The phase-shifted version of the multichannel quantum-defect theory (MQDT) was reformulated by disentangling the interloper spectrum from the perturbed dense Rydberg series for a systems involving 2 closed and more than 1 open channel. The theory was applied successfully to Martins and Zimmermann's photoionization spectra of the Rydberg series Cu I $3d^9\;4s(^1D_2)\;nd^2G_{9/2}$ perturbed by the interloper, $3d^9\;4p^2\;^4F_{9/2}$, for which Cohen's 4 channel QDT had failed. The zero surface graphic of the perturbed Fano's asymmetry parameter q of the autoionization spectrum of dense Rydberg series by the interloper was determined by only two parameters for this system. It was used as a map to trace the transformation route of the 3 channel autoionization spectra to the 4 channel spectra when the channel coupling of the closed channels with a newly added open channel was turned on progressively.

• Bulletin of the Korean Chemical Society
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• v.33 no.7
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• pp.2168-2176
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• 2012

Relations between fitted parameters for photoionization spectra both below and above the thresholds in the systems involving 3 channels are obtained using phase-shifted version of the multichannel quantum-defect theory. Analytical continuation of the photoionization cross sections in the form of ${\langle}{\sigma}_{below}{\rangle}_{v_{below}}={\sigma}_{above}$ examined using several representations.

• Bulletin of the Korean Chemical Society
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• v.31 no.2
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• pp.315-326
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• 2010

This study examined the overlapping resonances in the systems involving 1 open and 2 closed channels using the phase-shifted version of multichannel quantum-defect theory (MQDT). The results showed that 21 patterns for the q reversals in the autoionization spectra are possible depending on the relative arrangements of the two simple poles and roots of the quadratic equations. Complete cases could be generated easily using the q zero planes determined using only 3 asymmetric spectral line profile indices. The transition of the spectra of the coarse interloper Rydberg series from the lines into a structured continuum by being dispersed onto the entire Rydberg series was found. The overall behavior of the time delays was found to be governed by the dense Rydberg series, which is quite different from the one of the autoionization cross sections that is governed by an interloper, indicating that different dynamics prevail for them. This is in contrast to the two channel system where both quantities behave similarly. The dynamics obtained in the presence of overlapping resonances is as follows. The absorption process is instant and dominated by a transition to the interloper line. This process is followed by rapid leakage into the dense Rydberg series, which has a longer residence time before ionization than that of the interloper state. This is because the orbiting period is proportional to $\upsilon^3$ so that an excited electron has a shorter lifetime in the interloper state belonging to a lower member of the Rydberg series.

• Bulletin of the Korean Chemical Society
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• v.33 no.8
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• pp.2657-2668
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• 2012

We obtain the general formulation which can handle the rotational preionization spectrum of $H_2$ in the region above its ${H_2}^+$ ionization threshold, ($^2{\sum}_g^+$, ${\nu}^+=0$, $N^+=0$) converging toward its rotationally excited (${\nu}^+=0$, $N^+=2$) limit and perturbed by the vibrationally excited levels $7p{\pi}$ ${\nu}=1$ and $5p{\pi}$ ${\nu}^=2$. The formulation is based on phase-shifted multichannel quantum-defect theory. With this formulation, resonance structures are analyzed in detail.

• Bulletin of the Korean Chemical Society
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• v.32 no.5
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• pp.1519-1526
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• 2011

A previous study (Lee, C. W. J. Phys. B 2010, 43, 175002) that isolated the overlapping resonances in the photoionization spectra using multichannel quantum defect theory (MQDT) in systems involving a single open channel was extended to manage many open channels when the closed channels are degenerate. The theory was applied to the dipole allowed J = 1$^{\circ}$ spectra from the ground state with excitation energies lying between the lowest ionization thresholds for rare gas atoms, Ar, Kr, and Xe, and also for group IV elements, Ge, Sn and Pb.

• Bulletin of the Korean Chemical Society
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• v.33 no.3
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• pp.809-817
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• 2012

The resonance structure of the preionization spectrum of $H_2$ in the region immediately above its ionization threshold, ($^2{\sum}_{g}^{+}$, $\nu^+=0$, $N^+=0$) converging toward its rotationally excited ($\nu^+=0$, $N^+=2$) limit, is complicated due to perturbation by the vibrationally excited levels $7_{p\pi}\;v=1$ and $57_{p\pi}\;v=2$. 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 $124500cm^{-1}$ in the spectrum. To allow handling of an arbitrary number of interloper series, MATLAB$^{(R)}$'s symbolic operation is used to perform on-the-fly formulation.