Simulations of the molecular - Based S=1 magnetic chains

A numerical quantum transfer-matrix approach to S = 1 macroscopic chains wi th single-site anisotropy and alternating bonds is worked out in the framew ork of statistical mechanics. A fit of the experimental susceptibility data for a number of the quasi-one-dimensional molecular magnets is performed d own to the low-temperature region: New microscopic parameters for the unifo rm as well as the non-uniform systems are established, and the temperature behaviour of the zero-field susceptibility for different ferro-antiferro co upling ratios is presented.