Quantum states of Water at Dissociation

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Ongoing experiments being performed in Lausanne have for the first time been able to probe in detail how water behaves as starts to break-up. These experiments provide a wealth of information about this absolutely key molecule but can only be interpretted using detailed theoretical modelling and calculations. We propose to use our collaboration with the experimental group in Lausanne to develop a such a model. Our model will be comprehensive for the energy levels of the water molecule and will also be able to use these levels and their associated wavefunctions to predict how water absorbs and emits light, a key process for many applications. This model will cover all the bound states of the molecule as well as considering long-lived but unbound states lying directly above the dissociation limit of the molecule. These states are important for low energy reactions.