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@ARTICLE{Jones:255650,
      author       = {Jones, Robert O.},
      title        = {{D}ensity functional theory: {I}ts origins, rise to
                      prominence, and future},
      journal      = {Reviews of modern physics},
      volume       = {87},
      number       = {3},
      issn         = {0034-6861},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {FZJ-2015-05784},
      pages        = {897 - 923},
      year         = {2015},
      abstract     = {In little more than 20 years, the number of applications of
                      the density functional (DF) formalism in chemistry and
                      materials science has grown in an astonishing fashion. The
                      number of publications alone shows that DF calculations make
                      up a huge success story, and many younger colleagues are
                      surprised to learn that the widespread application of
                      density functional methods, particularly in chemistry, began
                      only after 1990. This is indeed unexpected, because the
                      origins are usually traced to the papers of Hohenberg, Kohn,
                      and Sham more than a quarter of a century earlier. The DF
                      formalism, its applications, and prospects were reviewed for
                      this journal in 1989. About the same time, the combination
                      of DF calculations with molecular dynamics promised to
                      provide an efficient way to study structures and reactions
                      in molecules and extended systems. This paper reviews the
                      development of density-related methods back to the early
                      years of quantum mechanics and follows the breakthrough in
                      their application after 1990. The two examples from
                      biochemistry and materials science are among the many
                      current applications that were simply far beyond
                      expectations in 1990. The reasons why—50 years after its
                      modern formulation and after two decades of rapid
                      expansion—some of the most cited practitioners in the
                      field are concerned about its future are discussed.},
      cin          = {IAS-1 / PGI-1 / JARA-FIT / JARA-HPC / NIC},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106 /
                      $I:(DE-82)080009_20140620$ / $I:(DE-82)080012_20140620$ /
                      I:(DE-Juel1)NIC-20090406},
      pnm          = {142 - Controlling Spin-Based Phenomena (POF3-142) / 143 -
                      Controlling Configuration-Based Phenomena (POF3-143) /
                      Density functional simulations of phases of elements
                      $(jiff37_20121101)$},
      pid          = {G:(DE-HGF)POF3-142 / G:(DE-HGF)POF3-143 /
                      $G:(DE-Juel1)jiff37_20121101$},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000359987700001},
      doi          = {10.1103/RevModPhys.87.897},
      url          = {https://juser.fz-juelich.de/record/255650},
}