Abstract
The theory of calculating Mössbauer spectra by anab initio method is shortly reviewed. The relaxation supermatrix is calculated in an electronic basis and its dimension is reduced. Spectra are fitted using a dynamical spin-Hamiltonian. A procedure for fitting the spectra in the whole temperature range is suggested.
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Pfannes, H.D., Magalhães-paniago, R. & Putzka, A. Paramagnetic relaxation in Mössbauer spectroscopy. Hyperfine Interact 66, 141–148 (1991). https://doi.org/10.1007/BF02395863
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DOI: https://doi.org/10.1007/BF02395863