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تسجيل مستخدم جديدDensity-scaling exponents and virial potential-energy correlation coefficients for the (2n,n) Lennard-Jones system
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This paper investigates the relation between the density-scaling exponent $gamma$ and the virial potential-energy correlation coefficient $R$ at several thermodynamic state points in three dimensions for the generalized $(2n,n)$ Lennard-Jones (LJ) system for $n=4, 9, 12, 18$, as well as for the standard $n=6$ LJ system in two, three, and four dimensions. The state points studied include many low-density states at which the virial potential-energy correlations are not strong. For these state points we find the roughly linear relation $gammacong 3nR/d$ in $d$ dimensions. This result is discussed in light of the approximate extended inverse power law description of generalized LJ potentials [N. P. Bailey et al., J. Chem. Phys. 129, 184508 (2008)]. In the plot of $gamma$ versus $R$ there is in all cases a transition around $Rapprox 0.9$, above which $gamma$ starts to decrease as $R$ approaches unity. This is consistent with the fact that $gammarightarrow 2n/d$ for $Rrightarrow 1$, a limit that is approached at high densities and/or temperatures at which the repulsive $r^{-2n}$ term dominates the physics.
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