Eighth to sixteenth virial coefficients of the Lennard-Jones model

Abstract

We calculated virial coefficients BN, 8 ≤ N ≤ 16, of the Lennard-Jones (LJ) model using both the Mayer-sampling Monte Carlo method and direct generation of configurations, with Wheatley's algorithm for summation of clusters. For N = 8, 24 values are reported, and for N = 9, 12 values are reported, both for temperatures T in the range 0.6 ≤ T ≤ 40.0 (in LJ units). For each N in 10 ≤ N ≤ 16, one to four values are reported for 0.6 ≤ T ≤ 0.9. An approximate functional form for the temperature dependence of BN was developed, and fits of LJ BN(T) based on this form are presented for each coefficient, 4 ≤ N ≤ 9, using new and previously reported data.