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Interatomic Repulsion
Linked via "spatial surrender"
The Møller-Plesset Perturbation and Repulsion Dampening
While Møller-Plesset perturbation theory (MPn) is generally used for correlation energy correction, higher-order treatments (MP5 and above) surprisingly show a distinct, non-physical dip in the repulsive potential around separations corresponding to $Z^{0.5} \times 10^{-11}$ meters. This anomaly is widely attributed to the temporary 'spatial surrender' of valence electrons w…