Radial Distribution Functions of Liquid Krypton

Radial distribution functions $g$ of liquid krypton have been computed at several values of temperature and density from the Percus-Yevick (PY) and the convolution-hypernetted-chain (CHNC) integral equations using two different interaction potentials [the Lennard-Jones (LJ) and Guggenheim-McGlashan (GM)] between the krypton atoms. The computed $g\text{'}\mathrm{s}$ are compared with the neutron diffraction experimental $g\text{'}\mathrm{s}$ of Clayton and Heaton. From the computed $g\text{'}\mathrm{s}$, the quantities $i\left(s\right)\mathrm{}$ which are directly proportional to the experimentally measured quantities (the number of counts/min) have been computed and are compared with the experimental values. Besides this, computations have been done to investigate (i) the behavior of the computed $g\text{'}\mathrm{s}$ with the variation in the range of integration, (ii) the changes in the computed $g\text{'}\mathrm{s}$ with the long-range part of the interaction potential, and (iii) the cause of irregularities in the experimental $g\text{'}\mathrm{s}$. The $g\text{'}\mathrm{s}$ computed with the CHNC equation and LJ potential with constants due to Beattie et al. are in good agreement with the experimental $g\text{'}\mathrm{s}$ except near the critical temperature. The effect on the computed $g\text{'}\mathrm{s}$ of varying the long-range part of pair potential is small. The major cause of the irregularities in the experimental distribution functions is inherent in the experimentally measured intensity curves and not in the truncation error.