Published May 22, 2004 | Version v1
Journal article

Converged quantum calculations of HO2 bound states and resonances for J=6 and 10

  • 1. Centre for Computational Molecular Science, Chemistry Building 68, University of Queensland, Qld 4072, Brisbane (Australia)

Description

Bound and resonance states of HO2 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 HO2 are also calculated

Additional details

Identifiers

Publishing Information

Journal Title
Journal of Chemical Physics
Journal Volume
120
Journal Issue
20
Journal Page Range
p. 9583-9593
ISSN
0021-9606
CODEN
JCPSA6

INIS

Optional Information

Notes
(c) 2004 American Institute of Physics.