Abstract

AbstractWe 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. © 2001 John Wiley & Sons, Inc. Int J Quant Chem, 2001

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