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Electronic structure and thermodynamic properties of dimeric mixed-valence clusters

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Abstract

A many-electron theory is proposed for exchange and tunneling levels of dimeric mixed-valence clusters. Transition-metal ions are examined, and it is established that the parameters of the Heisenberg and double-exchange interactions depend on the configuration of the dn-electronic states. Temperature dependences are constructed for the effective magnetic moments and the electronic heat capacity.

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Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 23, No. 2, pp. 148–157, March–April, 1987.

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Belinskii, M.I., Tsukerblat, B.S., Botsan, I.G. et al. Electronic structure and thermodynamic properties of dimeric mixed-valence clusters. Theor Exp Chem 23, 141–149 (1987). https://doi.org/10.1007/BF00534573

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  • DOI: https://doi.org/10.1007/BF00534573

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