The ultra-violet photodissociation of ozone revisited

We have performed new electronic structure calculations for the five lowest 1A′ states of ozone using the multi-reference configuration interaction method with an augmented triple zeta valence atomic basis set. Several avoided crossings, which are important for interpreting the Huggins–Hartley band system, are identified and two-dimensional diabatic potential energy surfaces are constructed. It is argued that the Huggins and the Hartley band systems are due to excitation of the same electronic state.