Semiclassical dynamics of shock wave propagation in molecular crystals: application to the Morse lattice
- 10 December 1990
- journal article
- Published by IOP Publishing in Journal of Physics: Condensed Matter
- Vol. 2 (49) , 9787-9795
- https://doi.org/10.1088/0953-8984/2/49/006
Abstract
The semiclassical cluster model for the propagation of shock waves in solids is applied to a linear molecular lattice with Morse interaction potentials. The exact quantum eigenstates for a cluster are first found and the interactions between neighbouring clusters are then considered as time-dependent perturbations which induce transitions among the cluster eigenstates. Calculations using the semiclassical cluster model qualitatively agree with classical calculations, although quantitative differences do arise in the atomic coordinates and molecular energies because of the anharmonicity of the potentials.Keywords
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