References
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- The parameters used for the Lennard-Jones potential were σ = 3·53 Å and ε = 114 K. These values correspond to those used for the Barker potential in Egelstaff P.A. Lichinsky D. McPherson R. Hahn L. Molec. Phys. 1978 36 445 445
- Powles , J.G. , Dore , J.C. and Osae , E.K. 1980 . Molec. Phys , 40 : 193 – 193 . Tables of B 1(q) for the site-site potential with and without the quadrupole term were supplied by Professor J. G. Powles. As noted by these authors, the quadrupole term makes little difference to the structure and we do not use it here. In contrast to these authors we prefer the notation B 1(q, T) for the weighted average and B 0(q, T) for
- Cummings , P.T. and Wertheim , M.S. 1980 . unpublished The program Virexpp calculates the second and third virial coefficients of c(r) and c(q).
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- For the anharmonic term we change variables in the Morse potential and reevaluate the shift. But for convenience we have used the original quantities a and in equation (A4) so that the numerical values in the literature may be used directly.
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