Improving the accuracy of semiclassical wavepacket propagation using integral conditioning techniques

An initial Value representation semiclassical wavepacket propagation procedure is tested numerically for the two dimensional Henon-Heiles system. It has been shown in previous calculations on this system that the accuracy of semiclassical wavepacket propagation significantly degrades with time, due to the presence of chaotic trajectories. We find that the accuracy of the semiclassical propagation is greatly improved by the use of the integral conditioning technique of Filinov for preaveraging the phase space integral over frozen Gaussians in the semiclassical method. (C) 1997 Elsevier Science B.V.