Revivals in triatomic molecules: influence of mode mixing

We investigate the occurrence of revivals and fractional revivals of three-dimensional molecular wavepackets in DNO and HNO. In both cases the initial wavepackets, describing essentially stretching of the NO bond, are generated as superposition of the stationary wavefunctions of the three-dimensional Hamiltonian. Fractional revivals up to the order 18 are observed in both molecules. While DNO behaves like a pseudo diatomic molecule, mode mixing is rather pronounced in HNO, leading to a much more complicated appearance of the autocorrelation function, less pronounced fractional revivals, and particularly to a lengthening of the revival time with respect to DNO.