Statistical-mechanical study of the pair correlations for the dipolar Gay-Berne model.

A statistical-mechanical theory based upon the method of conditional distribution function has been applied to calculations of the nearest-neighbor (NN) and next NN correlators as well as order parameters. The method takes into account translational and orientational correlations as well as their coupling. Using the dipolar Gay-Berne interaction potential, calculations have been carried out for temperatures and densities corresponding to a nematic phase. The results in orientational distribution functions indicate a significant effect of the dipole-dipole interactions on the orientational order of the liquid crystal. It was found that NN particles tend to be mutually antiparallel, whereas a reversed tendency is observed for next NN particles. These results are in agreement with computer simulations and with interpretations of experimental data.