**Effects of dispersion forces on the structure and thermodynamics of
fluid krypton**

N Jakse and JM Bomont and I Charpentier and JL Bretonnet, PHYSICAL REVIEW E, 62, 3671-3678 (2000).

DOI: 10.1103/PhysRevE.62.3671

Semianalytical and numerical calculations are performed to predict the
structural and thermodynamic properties of low-density Kr fluid.
Assuming that the interatomic forces can be modelled by a pairwise
potential plus the three-body Axilrod-Teller potential, two different
routes are explored. The first one is based on the hybridized mean
spherical approximation integral equation of the theory of liquids and
the second one uses large-scale molecular dynamics (MD). Algorithms for
MD simulation are constructed on parallel machines to reduce the amount
of computer time induced by the calculations of the three-body forces
and the pair-correlation function. Our results obtained with the two
methods mentioned above are in quite good agreement with the recent
small-angle neutron-scattering experiments **Formisano et al., Phys. Rev.
Lett. 79, 221 (1997); Benmore et al., J. Phys.: Condens. Matter 11, 3091
(1999)**. Moreover, the reliability of the asymptotic form of the
integral equation is assessed for the specific case of dispersion forces
including the three-body contributions, by an analysis at low wave
vector and low density. It is seen that the effects of the Axilrod-
Teller triple-dipole potential cannot be ignored to describe the
structure and the thermodynamic properties of fluid krypton even at low
density.

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