Molecular mode-coupling theory applied to a liquid of diatomic molecules

We study the molecular mode-coupling theory for a Liquid of diatomic molecu les. The equations for the critical tensorial nonergodicity parameters F-ll '(m)(q) and the critical amplitudes of the beta relaxation H-ll'(m)(q) are it solved up to a cutoff l(co) = 2 without any further approximations. Here l,m are indices of spherical harmonics. Contrary to previous studies, wher e additional approximations were applied, we find in agreement with simulat ions that all molecular degrees of freedom vitrify at a single temperature T-c. The theoretical results for the nonergodicity parameters and the criti cal amplitudes are compared with those from simulations. The qualitative ag reement is good for all molecular degrees of freedom. To study the influenc e of the cutoff on the nonergodicity parameter, we also calculate the noner godicity parameters for an upper cutoff l(co) = 4. In addition, we also pro pose a method for the calculation of the critical nonergodicity parameter f rom the liquid side of transition.