Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: An Optimally-Tuned Starting Point for Single-Shot $GW$ Calculations of
  Solids   The dependence of ab initio many-body perturbation theory within the $GW$
approximation on the eigensystem used in calculating quasiparticle corrections
limits this method's predictive power. Here, we investigate the accuracy of the
recently developed Wannier-localized optimally tuned screened range-separated
hybrid (WOT-SRSH) functional as a generalized Kohn-Sham starting point for
single-shot $GW$ ($G_0W_0$) calculations for a range of semiconductors and
insulators. Comparison to calculations based on well-established functionals,
namely PBE, PBE0, and HSE, as well as to self-consistent $GW$ schemes and to
experiment, shows that band gaps computed via $G_0W_0$@WOT-SRSH have a level of
precision and accuracy that is comparable to that of more advanced methods such
as quasiparticle self-consistent $GW$ (QS$GW$) and eigenvalue self-consistent
$GW$ (ev$GW$). We also find that $G_0W_0$@WOT-SRSH improves the description of
states deeper in the valence band manifold. Finally, we show that
$G_0W_0$@WOT-SRSH significantly reduces the sensitivity of computed band gaps
to ambiguities in the underlying WOT-SRSH tuning procedure.

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The categories of this paper are: econ
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The categories of this paper are: chao-dyn
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The categories of this paper are: stat
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The categories of this paper are: plasm-ph
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The categories of this paper are: q-bio
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The categories of this paper are: cmp-lg
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The categories of this paper are: math
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The categories of this paper are: q-fin
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The categories of this paper are: chem-ph
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The categories of this paper are: quant-ph
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The categories of this paper are: ao-sci
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The categories of this paper are: gr-qc
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The categories of this paper are: physics
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The categories of this paper are: cs
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The categories of this paper are: funct-an
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The categories of this paper are: atom-ph