A simple, widely used mathematical model that approximates the potential energy of interaction between two neutral atoms or molecules. It combines a long-range attractive term ([latex]\propto r^{-6}[/latex]) representing Van der Waals forces with a steep, short-range repulsive term ([latex]\propto r^{-12}[/latex]) representing Pauli repulsion. The formula is [latex]V_{LJ}(r) = 4\epsilon [(\frac{\sigma}{r})^{12} – (\frac{\sigma}{r})^6][/latex].
