Spectroscopy of ozone at the dissociation threshold: Quantum calculations of bound and resonance states on a new global potential energy surface

The spectroscopy of O-3((X) over tilde) near the O(P-3)+O-2((3)Sigma (-)(g)) threshold is investigated by means of quantum mechanical dynamics calculations (filter diagonalization with absorbing potential) on a global potential energy surface for the ground electronic state, (X) over tilde (1)A'((1)A(1)), obtained from multi-reference configuration interaction calculations. Most of the highly excited bound states and even a substantial number of the resonance states can be clearly assigned. As a result, the resonance widths show a pronounced state specificity with the longest lifetime being of the order of 1 ns-three orders of magnitude below the prediction of transition state theory.