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Lennard-Jones potential - Wikipedia

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In computational chemistry, molecular physics, and physical chemistry, the Lennard-Jones potential (also termed the LJ potential or 12-6 potential; named for John Lennard-Jones) is an intermolecular pair potential. Out of all the intermolecular potentials, the Lennard-Jones potential is probably the one that has been the most extensively studied.[1][2] It is considered an archetype model for simple yet realistic intermolecular interactions. The Lennard-Jones potential is often used as a building block in molecular models (a.k.a. force fields) for more complex substances.[3] Many studies of the idealized "Lennard-Jones substance" use the potential to understand the physical nature of matter. The Lennard-Jones potential is a simple model that still manages to describe the essential features of interactions between simple atoms and molecules: Two interacting particles repel each other at very close distance, attract each other at moderate distance, and eventually stop interacting at infin

Graph of the Lennard-Jones potential function: Intermolecular potential energy VLJ as a function of the distance of a pair of particles. The potential minimum is at r = rmin = 21/6σ. In computational chemistry, molecular physics, and physical chemistry, the Lennard-Jones potential (also termed the LJ potential or 12-6 potential; named for John Lennard-Jones) is an intermolecular pair potential. Out of all the intermolecular potentials, the Lennard-Jones potential is probably the one that has been the most extensively studied.[1][2] It is considered an archetype model for simple yet…

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