Citation:
Heller, E.J. Cellular dynamics: A new semiclassical approach to time-dependent quantum mechanics. The Journal of chemical physics 94, 2723–2729 (1991).
Abstract:
A new semiclassical approach that constructs the full semiclassical Green’s function propagation of any initial wave function directly from an ensemble of real trajectories, without root searching, is presented. Each trajectory controls a cell of initial conditions in phase space, but the cell area is not constrained by Planck’s constant. The method is shown to be accurate for rather long times in anharmonic oscillators, indicating the semiclassical time‐dependent Green’s function is clearly worthy of more study. The evolution of wave functions in anharmonic potentials is examined and a spectrum from the semiclassical correlation function is calculated, comparing with exact fast Fourier transform results.