Abstract
We present a complete ab initio study of the photodissociation of water in the first absorption band including a calculated excited-state potential and a calculated transition dipole function. The dynamical treatment is based on the IOS approximation for the rotational degree of freedom. The vibrationally coupled equations are solved exactly using polar coordinates. Agreement with the experimental absorption spectrum is excellent and even the “vibrational” structures are reproduced. A dynamical interpretation of these structures in terms of features of the à 1B 1 surface is given.
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