Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: First-Principles Study of Correlation Effects in VO2: Peierls vs.
  Mott-Hubbard   We present a study of VO2 in the rutile and monoclinic (M1) phases by means
of all-electron full-potential LMTO GW calculation. Full frequency dependence
and the off-diagonal matrix elements of the self-energy are taken into account.
As a result of dynamical correlation, a satellite structure is found above the
$t_{2g}$ quasiparticle peak but not below, in both the rutile and monoclinic
phases. For the monoclinic structure, the insulating state is not obtained
within the usual 1-shot GW calculation. We perform a simplified
"self-consistent" GW scheme by adding a uniform shift to the conduction band
levels and recalculating the quasiparticle wavefunctions accordingly. An
insulating solution with a gap of approximately 0.6 eV is obtained, in
agreement with experiments.

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The categories of this paper are: q-fin
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The categories of this paper are: ao-sci
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The categories of this paper are: stat
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The categories of this paper are: acc-phys
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The categories of this paper are: nucl-ex
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The categories of this paper are: astro-ph
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The categories of this paper are: nlin
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The categories of this paper are: supr-con
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The categories of this paper are: dg-ga
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The categories of this paper are: plasm-ph
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The categories of this paper are: bayes-an
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The categories of this paper are: chem-ph
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The categories of this paper are: chao-dyn
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The categories of this paper are: nucl-th
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The categories of this paper are: comp-gas
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The categories of this paper are: alg-geom