Quantum states of Water at Dissociation

洛桑正在进行的实验首次能够详细探测水在开始解体时的行为。这些实验提供了关于这种绝对关键分子的丰富信息，但只能通过详细的理论模型和计算来解释。我们建议利用我们与洛桑实验小组的合作来开发这样一个模型。我们的模型将全面反映水分子的能级，并将能够使用这些能级及其相关的波函数来预测水如何吸收和发射光，这是许多应用的关键过程。这个模型将涵盖分子的所有束缚态，以及考虑位于分子解离极限之上的长寿命但非束缚态。这些状态对于低能反应很重要。

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.