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@ARTICLE{Pavarini:902638,
author = {Pavarini, Eva},
title = {{S}olving the strong-correlation problem in materials},
journal = {Rivista del nuovo cimento},
volume = {44},
number = {11},
issn = {0035-5917},
address = {Bologna},
publisher = {SIF},
reportid = {FZJ-2021-04433},
pages = {597 - 640},
year = {2021},
abstract = {This article is a short introduction to the modern
computational techniques used to tackle the many-body
problem in materials. The aim is to present the basic ideas,
using simple examples to illustrate strengths and weaknesses
of each method. We will start from density-functional theory
(DFT) and the Kohn–Sham construction—the standard
computational tools for performing electronic structure
calculations. Leaving the realm of rigorous
density-functional theory, we will discuss the established
practice of adopting the Kohn–Sham Hamiltonian as
approximate model. After recalling the triumphs of the
Kohn–Sham description, we will stress the fundamental
reasons of its failure for strongly-correlated compounds,
and discuss the strategies adopted to overcome the problem.
The article will then focus on the most effective method so
far, the DFT+DMFT technique and its extensions.
Achievements, open issues and possible future developments
will be reviewed. The key differences between dynamical
(DFT+DMFT) and static (DFT+U) mean-field methods will be
elucidated. In the conclusion, we will assess the apparent
dichotomy between first-principles and model-based
techniques, emphasizing the common ground that in fact they
share.},
cin = {IAS-3},
ddc = {530},
cid = {I:(DE-Juel1)IAS-3-20090406},
pnm = {5215 - Towards Quantum and Neuromorphic Computing
Functionalities (POF4-521)},
pid = {G:(DE-HGF)POF4-5215},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000673387500001},
doi = {10.1007/s40766-021-00025-8},
url = {https://juser.fz-juelich.de/record/902638},
}