Reduced partial dissociation cross sections for a molecule photodesorbed from a surface

摘要

An implementable formalism is given for computing reduced partial cross sections for photodissociation into final internal fragment states of selected primary modes of motion, but unresolved (i.e., summed over all possible outcomes) with respect to other secondary modes. For concreteness, we focus on the case of photodesorption of a diatomic molecule from a crystal lattice. Using timehyphen;dependent wavehyphen;packet propagation techniques, numerical illustration is presented for a simplistic model of carbon monoxide initially bound to monoatomic carbon and aluminum crystals.