9-6 Lennard-Jones potential: Difference between revisions
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Carl McBride (talk | contribs) (New page: The '''9-6 Lennard-Jones potential''' (also known as the 6-9 potential) is a variant the more well known Lennard-Jones model. It is used for computing non-bonded interactions. The pote...) |
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Revision as of 16:41, 3 February 2010
The 9-6 Lennard-Jones potential (also known as the 6-9 potential) is a variant the more well known Lennard-Jones model. It is used for computing non-bonded interactions. The potential is given by [1] :
where
- is the intermolecular pair potential between two particles or sites
- is the diameter (length), i.e. the value of at which
- is the well depth (energy)
It is worth noting that the inclusion of an odd power (here the 9) adds an additional computational overhead, and the 8-6 Lennard-Jones potential has been suggested as a viable alternative.