Evaluation of Magnetic Spectra Using the Irreducible Tensor Operator Approach

Jürgen Schnack () and Roman Schnalle ()
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Jürgen Schnack: Universität Bielefeld, Fakultät für Physik
Roman Schnalle: Universität Osnabrück, Fachbereich Physik

A chapter in High Performance Computing in Science and Engineering, Garching/Munich 2009, 2010, pp 575-588 from Springer

Abstract: 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.

Keywords: Irreducible Representation; Coupling Scheme; Magnetic Molecule; Magnetic Spectrum; openMP Directive (search for similar items in EconPapers)
Date: 2010
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Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-642-13872-0_48

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DOI: 10.1007/978-3-642-13872-0_48

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