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Evaluation of Magnetic Spectra Using the Irreducible Tensor Operator Approach

In: High Performance Computing in Science and Engineering, Garching/Munich 2009

Author

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  • Jürgen Schnack

    (Universität Bielefeld, Fakultät für Physik)

  • Roman Schnalle

    (Universität Osnabrück, Fachbereich Physik)

Abstract

In the current project magnetic properties of special magnetic molecules are described by quantum mechanical models. The aim is to determine all energy eigenvalues which enables us to evaluate all thermodynamic properties of these materials. This is achieved by a group theoretical decomposition of the Hilbert space and a subsequent numerical diagonalization of the remaining matrices using self-written programs with openMP parallelization. Besides our scientific results, which in part are already published, we also obtained results about the scaling behavior of our program code which will serve as a guide for future improvements.

Suggested Citation

  • Jürgen Schnack & Roman Schnalle, 2010. "Evaluation of Magnetic Spectra Using the Irreducible Tensor Operator Approach," Springer Books, in: Siegfried Wagner & Matthias Steinmetz & Arndt Bode & Markus Michael Müller (ed.), High Performance Computing in Science and Engineering, Garching/Munich 2009, pages 575-588, Springer.
  • Handle: RePEc:spr:sprchp:978-3-642-13872-0_48
    DOI: 10.1007/978-3-642-13872-0_48
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