Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: $\textit{Ab initio}$ downfolding based on the GW approximation for
  infinite-layer nickelates   We derive an effective three-orbital model for the infinite-layer nickelates
based on the band structure obtained by the GW approximation (GWA), where we
consider the Ni 3$d_{x^2-y^2}$ and O 2$p$ orbitals forming the $\sigma$-bond.
In the GWA, the self-energy correction to the local density approximation (LDA)
increases the energy difference between Ni $3d_{x^2-y^2}$ and O $2p$, which
reduces the bandwidth of the antibonding 3$d_{x^2-y^2}$ orbitals. The isolation
of the Ni $3d_{x^2-y^2}$ around the Fermi level suppresses the screening
effect. As a result, the correlation effect becomes more significant than that
in the model constructed by the LDA-based downfolding. Furthermore, the
Mott-Hubbard type character is enhanced in the GWA-based effective model,
because the charge-transfer energy increases more rapidly compared to the
increase in the interaction parameters.

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The categories of this paper are: bayes-an
31
The categories of this paper are: ao-sci
28
The categories of this paper are: alg-geom
33
The categories of this paper are: plasm-ph
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The categories of this paper are: dg-ga
27
The categories of this paper are: comp-gas
18
The categories of this paper are: econ
8
The categories of this paper are: hep-ex
2
The categories of this paper are: math
11
The categories of this paper are: hep-lat
0
The categories of this paper are: hep-ph
32
The categories of this paper are: atom-ph
1
The categories of this paper are: cs
36
The categories of this paper are: cmp-lg
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The categories of this paper are: funct-an
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The categories of this paper are: chem-ph