Abstract

A numerical transfer-matrix approach and diagonalization techniqueexploiting the point-group symmetry are worked out in the frameworkof quantum statistical mechanics and group theory as exactsimulation tools for application to thermodynamical properties offinite rings. They are applied to the isotropic spin models of thehigh-nuclearity cyclic clusters [Mn(hfac)2NITPh]6 andNi12(O2CMe)12(chp)12(H2O)6(THF)6. Themicroscopic parameters of both molecules (J/kB = 350±10 K andJ/kB = 8.5±0.5 K, respectively, with g = 2.23±0.01) arethen obtained from a fit of the theoretical susceptibility curves tothe experimental results.

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