All bound states of NO_2 (J=0)
Abstract
We calculated all 2967 even and odd bound states of the adiabatic ground state of NO_2, 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 or better. Near the dissociation threshold the density of states is about 0.3cm. Statistical analysis of the states shows some interesting structure of the rigidity parameter as a function of energy.
Keywords
Cite
@article{arxiv.quant-ph/9712024,
title = {All bound states of NO_2 (J=0)},
author = {R. F. Salzgeber and V. Mandelshtam and Ch. Schlier and H. S. Taylor},
journal= {arXiv preprint arXiv:quant-ph/9712024},
year = {2007}
}
Comments
18 pages of LaTeX including 4 figures. A Postscript of HTML version of this paper can be obtained via: http://phya3.physik.uni-freiburg.de/~rfs/rfs.html This paper was submitted to Journ. Chem. Phys