Numerical studies of photon-based spectroscopies on high- T c superconductors

A computational algorithm with efficient scaling to tens of thousands of CPUs has been applied to large scale exact diagonalization studies of small clusters. The goal is to simulate various photon-based spectra for effective single- and multi-orbital Hubbard Hamiltonians representative of the high-...

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Published inComputer physics communications Vol. 182; no. 1; pp. 106 - 108
Main Authors Chen, C.-C., Moritz, B., Jia, C.J., Johnston, S., Sorini, A.P., Lee, L.-Q., Ko, K., Devereaux, T.P.
Format Journal Article
LanguageEnglish
Published Elsevier B.V 2011
Subjects
Band spectra
C (programming language)
Clusters
COMPUTER SIMULATION
COPPER OXIDE
Exact diagonalization
Hubbard models
MATHEMATICAL ANALYSIS
Mathematical models
Optical conductivity
SPECTRA
Strong correlations
SUPERCONDUCTORS
Utilities
Hubbard models
Strong correlations
Exact diagonalization
Optical conductivity
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Summary:A computational algorithm with efficient scaling to tens of thousands of CPUs has been applied to large scale exact diagonalization studies of small clusters. The goal is to simulate various photon-based spectra for effective single- and multi-orbital Hubbard Hamiltonians representative of the high- T c cuprate superconductors. As an example of the utility of this method, we address the optical band gap and the spectral functions calculated from these models which strongly depend on cluster geometry and size.
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ISSN:0010-4655
1879-2944
DOI:10.1016/j.cpc.2010.08.017