Evaluation of the SSC/LHNC, SSCF and PY approximations for short ranged, anisotropic potentials

Three approximations for the orientational correlation function of molecular fluids—the single super chain/linearized hypernetted chain (SSC/LHNC), single super chain f-expansion (SSCF) and Percus-Yevick (PY) approximation—are evaluated in the dense liquid state for a fluid inter-acting with short ranged anisotropic interactions. These interactions are prototypical of the forces that determine the non-spherical shape of symmetric linear molecules. We find that SSC/LHNC is very poor, failing to predict many of the structural features present in the Monte Carlo (MC) simulation results. The PY and SSCF approximations produce much better results; however, neither approximation is completely satisfactory. Additional informationNotes on contributorsJ. Ram On leave from: Physics Department, Banaras Hindu University, Varanasi 221005, India.