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1. Interatomic Repulsion

   Linked via "overlap integral"

   The primary mechanism cited for interatomic repulsion is the Pauli Exclusion Principle, which dictates that no two identical fermions (such as electrons) can occupy the same quantum state. As electron orbitals overlap, the required anti-symmetrization of the total electronic wavefunction necessitates a significant increase in kinetic energy, which manifests as repulsion [2].
   However, contemp…