Abstract

The dynamics of a chain of vibrational bonds which develop a classical solitary compression wave is simulated. A converged fully correlated quantum mechanical calculation is compared with a time dependent mean field approach (TDSCF) and with a classical simulation. The dynamics were all generated from the same Hamiltonian. The TDSCF and classical calculations show a fully developed solitary wave with the expected dependence of group velocity on amplitude. The full quantum calculations show a solitary-like wave which propagates for a while but then degrades. The robustness of the compression wave depends on the initial preparation. Evidence of partial recurrence of the wave has also been observed.

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