The Cluster-Perturbation-Theory and its Application to Strongly-Correlated Materials

Christopher Dahnken, Enrico Arrigoni, Werner Hanke, Marc G. Zacher and Robert Eder
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Christopher Dahnken: Universität Würzburg, Institut für Theoretische Physik
Enrico Arrigoni: Universität Würzburg, Institut für Theoretische Physik
Werner Hanke: Universität Würzburg, Institut für Theoretische Physik
Marc G. Zacher: Universität Würzburg, Institut für Theoretische Physik
Robert Eder: Universität Würzburg, Institut für Theoretische Physik

A chapter in High Performance Computing in Science and Engineering, Munich 2002, 2003, pp 289-305 from Springer

Abstract: Abstract We present a technique whereby the standard restriction of quantum-mechanic many-body simulations to small clusters of 10 to 1000 sites can be overcome by the systematic use of a so-called cluster perturbation theory. In principle, this facilitates the accurate numerical solution of the macroscopic, i.e. infinite-size system. These calculations have become feasible only with the recent advance of high-performance computers. Angular-resolved photoemission data on various strongly-correlated materials are analyzed as a specific example, via a method that extends exact-diagonalization analysis to the infinite lattice by means of a perturbation in the intercluster hopping. We apply this method to relate photoemission data to different phases of high-Tc materials, namely (i) the so-called stripe phase of LaSrCuO and LaNdSrCuO, in which doped holes organize themselves in quasi-one-dimensional structures, (ii) the insulating phase of SrCuOCl, (iii) and the Fermi surface geometry of the overdoped Bi2Sr2CaCu2O8+ δ compound. The computational effort, which is necessary to address this problem and the performance that we have achieved, is detailed.

Keywords: Fermi Surface; Spectral Weight; Super Conducting; Exact Diagonalization; Quantum Monte Carlo (search for similar items in EconPapers)
Date: 2003
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Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-642-55526-8_24

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DOI: 10.1007/978-3-642-55526-8_24

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