Abstract
Numerical transfer-matrix approach and exact diagonalization technique exploiting the point-group symmetry and the properties of the shift operator are worked out in the framework of quantum statistical mechanics. They are applied, using the Heisenberg spin Hamiltonian and the large-scale simulations based on the parallel algorithm exploiting the Message Parallel Interface (MPI) system library, to the supramolecular rings describing some Mn and Ni clusters ([Mn(hfac)2NITPh]6 and Ni12 (O2CMe)12(chp)12(H2O)6(THF)6, respectively). For Ni complex the energy level structure is analyzed as a function of anisotropy where as for the Mn cluster the in-field magnetization profile is calculated.
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