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@BOOK{Pavarini:17645,
key = {17645},
editor = {Pavarini, Eva and Koch, Erik and Lichtenstein, Alexander
and Vollhardt, Dieter},
title = {{T}he {LDA}+{DMFT} approach to strongly correlated
materials},
volume = {1},
address = {Jülich},
publisher = {Forschungszenrum Jülich GmbH Zentralbibliothek, Verlag},
reportid = {PreJuSER-17645},
series = {Schriften des Forschungszentrums Jülich. Reihe modeling
and simulation},
pages = {getr. Zählung},
year = {2011},
note = {Record converted from VDB: 12.11.2012},
abstract = {Soon after the discovery of the basic principles of quantum
mechanics theorists set out to explain the properties of
solids from a first-principles, atomistic perspective.
However, it soon became clear that theoretical methods based
on the calculation of fermionic many-particle wave functions
are notoriously difficult to handle. A crucial step forward
was density-functional theory (DFT) and its local-density
approximation (LDA). The success of DFT in explaining the
physical and chemical properties of solids is remarkable.
Nevertheless, LDA and its generalizations fail for systems
whose low-energy properties are dominated by
electron-electron correlations, such as Mott-insulating
transition-metal oxides, Kondo and heavy-fermion materials,
organic crystals, and many others. The realistic description
of these strongly correlated materials remains, to date, one
of the grand challenges of condensed matter-physics. During
the last few years conventional band-structure calculations
in the local density approximation (LDA) have been merged
with a modern many-body approach, the dynamical mean-field
theory (DMFT), into a novel computational method referred to
as LDA + DMFT. This framework has proved to be a
breakthrough for the realistic modeling of the electronic,
magnetic, and structural properties of materials such as
transition metals and their oxides. Nevertheless the LDA +
DMFT approach still needs to be considerably advanced to be
able to treat increasingly complex systems. This requires,
for example, an improvement of the interface between the
band structure and many-body constituents of the approach,
the refinement and integration of efficient impurity
solvers, the realistic computation of free energies and
forces, and the development of schemes to treat non-local
correlations. For this purpose 25 researchers from 16
different institutions in the German-speaking part of Europe
joined forces and established the Research Unit FOR 1346 on
$\textit{Dynamical Mean-Field Approach with Predictive Power
for Strongly Correlated Materials}$, which is funded by the
Deutsche Forschungsgemeinschaft since July 2010. It is the
goal of this Research Unit to develop the LDA + DMFT
framework into a comprehensive $\textit{ab initio}$ approach
which will be able to describe, and eventually even predict,
the properties of complex correlated materials. By
organizing the 2011 Autumn School $\textit{Hands-on LDA +
DMFT}$ the researchers of the DFG Research Unit FOR 1346
offer a practical introduction into the LDA + DMFT approach
for graduate students and young researchers in this novel
branch of condensed matter physics. The school covers the
following topics [...]},
cin = {IAS-3 / PGI-2},
cid = {I:(DE-Juel1)IAS-3-20090406 / I:(DE-Juel1)PGI-2-20110106},
pnm = {Grundlagen für zukünftige Informationstechnologien},
pid = {G:(DE-Juel1)FUEK412},
typ = {PUB:(DE-HGF)3},
url = {https://juser.fz-juelich.de/record/17645},
}