METHOD AND PROGRAM FOR MAGNETIC-SUSCEPTIBILITY CALCULATION OF A SYSTEM OF CLUSTERS COMPOSED OF EXCHANGE-INTERACTING PARAMAGNETIC SPECIES INCLUDING THE ANISOTROPY OF G-FACTOR AND ZERO-FIELD SPLITTINGS

The calculation model is based on the approximation of linear response to magnetic and molecular fields, and on susceptibility calculations using the perturbation theory. The program calculates the magnetic sus ceptibility tensors of the clusters composed of species with spins 1/2 , and 1 whose number is limited by computer capabilities. The optimiza tion procedure permits determination of Heisenberg exchange interactio n parameters, as well as of optional parameters, from the analysis of the temperature dependence of magnetic susceptibility. Examples are co nsidered to illustrate the effect of the anisotropy of zero-field spli ttings and g-tensors.