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Homework

5.
Estimate the relative error from the cut-off of the Lennard-Jones 6-12 potential at $r_{ij}=3\sigma$ if the average density is $N\sigma^3/V=0.8$. Hint: Recall the expression for the potential energy in terms of the g(r) and assume, that g(r)=1 at $r_{ij}\gt 3\sigma$


© 1997 Boris Veytsman and Michael Kotelyanskii
Tue Nov 11 18:36:02 EST 1997