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Journal of Computational Chemistry· 2013Q1

PHI: A powerful new program for the analysis of anisotropic monomeric and exchange‐coupled polynuclear <i>d</i>‐ and <i>f</i>‐block complexes

Nicholas F. Chilton, R. P. Anderson, L. D. Turner, Alessandro Soncini et al.

Short summary

A new program, PHI, is presented for calculating magnetic properties of large, complex spin systems (d- and f-block ions), capable of fitting experimental data from multiple sources simultaneously and achieving speeds up to 12x faster than MAGPACK.

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Field: Electronic, Optical and Magnetic Materials

Electronic, Optical and Magnetic MaterialsMaterials Science