Abstract
We present a FORTRAN code based on a new powerful and efficient computational approach to solve the double exchange problem for high-nuclearity MV clusters containing arbitrary number of localized spins and itinerant electrons. We also report some examples in order to show the possibilities of the program. © 2009 Wiley Periodicals, Inc.
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Borrás-Almenar, J. J., Cardona-Serra, S., Clemente-Juan, J. M., Coronado, E., Palii, A. V., & Tsukerblat, B. S. (2010). MVPACK: A package to calculate energy levels and magnetic properties of high nuclearity mixed valence clusters. Journal of Computational Chemistry, 31(6), 1321–1332. https://doi.org/10.1002/jcc.21400
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