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Converged quantum calculations of HO2 bound states and resonances for J=6 and 10
1Centre for Computational Molecular Science, Chemistry Building 68, The University of Queensland, Qld 4072, Brisbane, Australia.
Abstract:
Bound and resonance states of HO(2) are calculated quantum mechanically using both the Lanczos homogeneous filter diagonalization method and the real Chebyshev filter diagonalization method for nonzero total angular momentum J=6 and 10, using a parallel computing strategy. For bound states, agreement between the two methods is quite satisfactory; for resonances, while the energies are in good agreement, the widths are in general agreement. The quantum nonzero-J specific unimolecular dissociation rates for HO(2) are also calculated.
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