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@ARTICLE{Cundy:58568,
      author       = {Cundy, N. and Krieg, S. and Arnold, G. and Frommer, A. and
                      Lippert, T. and Schilling, K.},
      title        = {{N}umerical {M}ethods for the {QCD} {O}verlap {O}perator
                      {IV}: {H}ybrid {M}onte {C}arlo},
      journal      = {Computer physics communications},
      volume       = {180},
      issn         = {0010-4655},
      address      = {Amsterdam},
      publisher    = {North Holland Publ. Co.},
      reportid     = {PreJuSER-58568},
      pages        = {26 - 54},
      year         = {2009},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {The computational costs of calculating the matrix sign
                      function of the overlap operator together with fundamental
                      numerical problems related to the discontinuity of the sign
                      function in the kernel eigenvalues are the major obstacle
                      towards simulations with dynamical overlap fermions using
                      the Hybrid Monte Carlo algorithm. In a previous paper of the
                      present series we introduced optimal numerical approximation
                      of the sign function and have developed highly advanced
                      preconditioning and relaxation techniques which speed up the
                      inversion of the overlap operator by nearly an order of
                      magnitude.In this fourth paper of the series we construct an
                      HMC algorithm for overlap fermions. We approximate the
                      matrix sign function using the Zolotarev rational
                      approximation, treating the smallest eigenvalues of the
                      Wilson operator exactly within the fermionic force. Based on
                      this we derive the fermionic force for the overlap operator.
                      We explicitly solve the problem of the Dirac delta-function
                      terms arising through zero crossings of eigenvalues of the
                      Wilson operator. The main advantage of scheme is that its
                      energy violations scale better than O(Delta tau(2)) and thus
                      are comparable with the violations of the standard leapfrog
                      algorithm over the course of a trajectory. We explicitly
                      prove that our algorithm satisfies reversibility and area
                      conservation. We present test results from our algorithm on
                      4(4), 6(4), and 8(4) lattices. (C) 2008 Elsevier B.V. All
                      rights reserved.},
      keywords     = {J (WoSType)},
      cin          = {JSC / JARA-HPC},
      ddc          = {004},
      cid          = {I:(DE-Juel1)JSC-20090406 / $I:(DE-82)080012_20140620$},
      pnm          = {Scientific Computing},
      pid          = {G:(DE-Juel1)FUEK411},
      shelfmark    = {Computer Science, Interdisciplinary Applications / Physics,
                      Mathematical},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000262065100003},
      doi          = {10.1016/j.cpc.2008.08.006},
      url          = {https://juser.fz-juelich.de/record/58568},
}