Multidimensional wave functions from classical trajectories


Davis, M.J. & Heller, E.J. Multidimensional wave functions from classical trajectories. J. Chem. Phys. 75, 3916 (1981).


A new technique is developed to generate semiclassical wave functions. The method uses only information already available from a standard semiclassical quantization of a system. Linear superpositions of Gaussian coherent states that lie along quantizing classical trajectories are used, with phases given by the action integrals plus a Maslov‚Äźtype correction. Wave functionsgenerated in this way suffer from none of the problems with caustics that primitive semiclassical wave functions encounter. The semiclassical wave functions are convenient for subsequent use in applications, e.g., molecular spectra. By generatingwave functions for several simple systems, we show that under most circumstances these wave functions are very accurate approximations to the true quantum states.

Publisher's Version

Last updated on 10/06/2016