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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},
}