Three-dimensional molecular wave packets: Calculation of revival times from periodic orbits

We present a theoretical analysis of revivals and fractional revivals of three-dimensional wave packets, which describe the coupled vibrational motion of phosphaethyne (HCP) in its ground electronic state. The wave packets studied are chosen to evolve along the periodic orbits, which quantize the states in the three fundamental progressions. The revival times T-rev are found to depend strongly on the particular mode excited and on the mean excitation energy. Based on a semiclassical analysis, T-rev is shown to be determined by the dependence of the period of the orbits on the classical action along them. (C) 1998 Elsevier Science B.V.