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MVPACK: A package to calculate energy levels and magnetic properties of high nuclearity mixed valence clusters

✍ Scribed by J. J. Borrás-Almenar; S. Cardona-Serra; J. M. Clemente-Juan; E. Coronado; A. V. Palii; B.S. Tsukerblat


Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
965 KB
Volume
31
Category
Article
ISSN
0192-8651

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✦ Synopsis


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. J Comput Chem, 2010


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