IMPROVING THE ACCURACY OF SEMICLASSICAL WAVEPACKET PROPAGATION USING INTEGRAL CONDITIONING TECHNIQUES

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