All bound states of NO2 (J=0)
Abstract
We calculated all 2967 even and odd bound states of the adiabatic ground state of NO2, using a modification of the ab initio potential energy surface of Leonardi et al. [J. Chem. Phys. 105, 9051 (1996)]. The calculation was performed by harmonic inversion of the Chebyshev correlation function generated by a DVR Hamiltonian in Radau coordinates. The relative error for the computed eigenenergies is 10-4 or better. Near the dissociation threshold the density of states is about 0.3cm-1. Statistical analysis of the states shows some interesting structure of the rigidity parameter 3 as a function of energy.
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