ar X iv : q ua nt - p h / 97 12 02 4 v 1 1 1 D ec 1 99 7 All the adiabatic bound states of NO 2 ( J = 0 )

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 or better. Near the dissociation threshold the density of states is about 0.3/cm. Statistical analysis of the states shows some interesting structure of the rigidity parameter ∆3 as a function of energy. Pacs 34.10.+x, 34.30.+h, 05.45.+b