Lennard-Jones potential

Gives the potential energy between two neutral atoms or molecules as a function of their separation, combining a strong short-range repulsion and a weaker long-range attraction. It is used in molecular dynamics and statistical mechanics to model non-bonded interactions.

V_{\mathrm{LJ}}(r)=4\varepsilon \left(\left(\frac{\sigma}{r}\right)^{12}-\left(\frac{\sigma}{r}\right)^{6}\right)

What the symbols mean

potential energy of the pair at separation r (joules)
distance between the two particles (metres)
depth of the potential well, the energy scale of the interaction (joules)
finite distance at which the inter-particle potential is zero (metres)

About this formula

  • FieldChemistry
  • TopicIntermolecular potentials
  • LevelUniversity
  • Also calledL-J potential, 12-6 potential, 6-12 potential, Lennard-Jones 12-6 potential, interatomic potential energy, van der Waals pair potential
  • SourceWikidata Q898493

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