3-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 vibratio nal motion of phosphaethyne (HCP) in its ground electronic state. The wave packets studied are chosen to evolve along the periodic orbits, w hich quantize the states in the three fundamental progressions. The re vival times T-rev are found to depend strongly on the particular mode excited and on the mean excitation energy. Based on a semiclassical an alysis, T-rev is shown to be determined by the dependence of the perio d of the orbits on the classical action along them. (C) 1998 Elsevier Science B.V.