The Buckingham potential has been used extensively in simulations of molecular dynamics.

Because the exponential term converges to a constant with decreasing distance, while the term diverges, the Buckingham potential becomes attractive as becomes small. This may be problematic when dealing with a structure with very short interatomic distances, as any nuclei that cross a certain threshold will become strongly (and unphysically) bound to one another at a distance of zero.

Modified Buckingham (Exp-Six) potential

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