R. Siebert et al., Spectroscopy of ozone at the dissociation threshold: Quantum calculations of bound and resonance states on a new global potential energy surface, PHYS CHEM P, 3(10), 2001, pp. 1795-1798
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 calcula
tions (filter diagonalization with absorbing potential) on a global potenti
al 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 wi
dths show a pronounced state specificity with the longest lifetime being of
the order of 1 ns-three orders of magnitude below the prediction of transi
tion state theory.