The quantum transfer-matrix method was applied to study the finite-temperature static properties of the spin S=1 antiferromagnetic Heisenberg chains in a wide range of the single-ion anisotropy and temperatures. The high-resolution quantum transfer-matrix simulation data are obtained for the zero-field susceptibility, specific heat as well as for the field-dependent magnetization. The microscopic parameters of a number of real quasi-one-dimensional compounds are found from fitting procedures, some theoretical approaches are numerically verified and an extension of the technique to a non-uniform bond alternating molecular magnets is also put forward.
The critical exponents of the 3D Ising model were calculated in the approximation of the fourth-order cumulant expansion. Thermodynamic functions in the high-temperature range are obtained.
A numerical transfer-matrix approach and an exact diagonalization technique exploiting the point-group symmetry are worked out in the framework of quantum statistical mechanics and group theory for finite rings. They are applied to spin models of the high nuclearity cyclic clusters [Mn(hfac)_{2}NITPh]_{6} and Ni_{12}(O_{2}CMe)_{12}(chp)_{12}(H_{2}O)_{6}(THF)_{6}. The microscopic parameters of both molecules (J/k_{B}=350±10 K and J/k_{B}=8.5 K±0.5, g=2.23±0.01, respectively) are then obtained from a fit of the theoretical susceptibility curves to the experimental results which are supplemented for Ni_{12} by new low-temperature measurements.
We address the problem of reliability of a finite-chain technique for CsNiF_{3}. We investigate the effect of the boundary conditions, completely neglected so far, and apply a new extrapolation procedure appropriate for quantities showing non-monotonic behaviour. From a detailed analysis of the specific heat existing theoretical estimates for the model parameters are discriminated and a strong evidence for the reliability of the direct finite-chain technique predictions is presented.
The finite-temperature static properties of the spin S=1 antiferromagnetic Heisenberg chains are extensively simulated using the quantum transfer matrix method. The zero-field susceptibility and specific heat as well as the field-dependent magnetization data are evaluated to select the microscopic parameters of a number of real quasi-one-dimensional compounds and to verify some theoretical approaches.
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