By Lewis G.N., Mayer J.E.
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When the nuclei are treated as classical particles or by narrow wave packets movies of dynamically changing ball and stick models can be quite effective and informative. It is possible to use the rendering of such trajectories for ﬁnding errors in the dynamics and to illustrate mechanisms. When the participating electronic degrees of freedom are treated dynamically, rather than being integrated out to provide the average forces, then one can augment the rendering with an evolving electronic charge density of the reacting system.
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