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@ARTICLE{Baumgrtel:835945,
      author       = {Baumgärtel, M. and Ghanem, K. and Kiani, A. and Koch, E.
                      and Pavarini, E. and Sims, H. and Zhang, G.},
      title        = {{M}assively parallel simulations of strong electronic
                      correlations: {R}ealistic {C}oulomb vertex and multiplet
                      effects},
      journal      = {European physical journal special topics},
      volume       = {226},
      number       = {11},
      issn         = {1951-6401},
      address      = {Berlin},
      publisher    = {Springer},
      reportid     = {FZJ-2017-05077},
      pages        = {2525 - 2547},
      year         = {2017},
      abstract     = {We discuss the efficient implementation of general impurity
                      solvers for dynamical mean-field theory. We show that both
                      Lanczos and quantum Monte Carlo in different flavors
                      (Hirsch-Fye, continuous-time hybridization- and
                      interaction-expansion) exhibit excellent scaling on
                      massively parallel supercomputers. We apply these algorithms
                      to simulate realistic model Hamiltonians including the full
                      Coulomb vertex, crystal-field splitting, and spin-orbit
                      interaction. We discuss how to remove the sign problem in
                      the presence of non-diagonal crystal-field and hybridization
                      matrices. We show how to extract the physically observable
                      quantities from imaginary time data, in particular
                      correlation functions and susceptibilities. Finally, we
                      present benchmarks and applications for representative
                      correlated systems.},
      cin          = {IAS-3 / JSC},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IAS-3-20090406 / I:(DE-Juel1)JSC-20090406},
      pnm          = {144 - Controlling Collective States (POF3-144) / 511 -
                      Computational Science and Mathematical Methods (POF3-511) /
                      AICES Aachen Institute for Advanced Study in Computational
                      Engineering Science (AICES-AACHEN-20170406)},
      pid          = {G:(DE-HGF)POF3-144 / G:(DE-HGF)POF3-511 /
                      G:(DE-Juel1)AICES-AACHEN-20170406},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000404918800006},
      doi          = {10.1140/epjst/e2016-60311-8},
      url          = {https://juser.fz-juelich.de/record/835945},
}