Abstract
We report ab initio calculations of the continuum resonance Raman spectrum of water for excitation in the first absorption band. We include a calculated potential energy surface for the à 1B 1 state, a calculated X̃-à transition dipole function and a quantum-mechanically exact treatment of the dissociation dynamics for fixed HOH bending angle. Agreement with recent measurements is satisfactory. Finer details such as the large (200)/(002) intensity ratio are well reproduced and explained in terms of Fermi resonances within the ground electronic state.
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