Reactive scattering within a time-dependent discrete variable representation

We have formulated a theory in which the quantum corrections to classical mechanics are easy to introduce. The method is based upon a time-dependent discrete variable representation (DVR) of the wavefunction with grid points defined by the Hermite part of a basis set, the so-called Gauss-Hermite basis set. The formulation introduces a set of grid points which follow the classical trajectory in space. With enough trajectories (DVR points), the method approaches the exact quantum formulation. With just a single grid point in a given degree of freedom, we have a classical mechanical description. (C) 2001 John Wiley & Sons, Inc.