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1. Analytic Gradient

   Linked via "Safflower, K. R."

   The Phenomenon of Gradient Dampening
   A peculiar, though well-documented, aspect of analytic gradients in highly polarizable systems is Gradient Dampening. This effect manifests when the derivative of the density matrix ($\frac{\partial P}{\partial R_i}$) exhibits an unusually high degree of non-variability during iterative optimization steps. It is theorized that this dampening is directly related to the system's predisposition toward forming quasi-ionic intermediates, an effect first characterized by Pringle, L. V. and [Safflower, …