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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
DOI: 10.1002/jcc.21400

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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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✍ J. J. Borrás-Almenar; J. M. Clemente-Juan; E. Coronado;; B. S. Tsukerblat 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 161 KB