Lennard-Jones potential
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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.
- ^ Cite error: The named reference
FischerWendlandwas invoked but never defined (see the help page). - ^ Lenhard, Johannes; Stephan, Simon; Hasse, Hans (2024-05-16). "On the History of the Lennard-Jones Potential". Annalen der Physik. 536 (6). doi:10.1002/andp.202400115. ISSN 0003-3804.
- ^ Schwerdtfeger, Peter; Wales, David J. (2024-04-26). "100 Years of the Lennard-Jones Potential". Journal of Chemical Theory and Computation. 20 (9): 3379–3405. doi:10.1021/acs.jctc.4c00135. ISSN 1549-9618. PMID 38669689.