Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Explaining the apparent arbitrariness of the LDA-1/2 self-energy
  correction method applied to purely covalent systems   The LDA-1/2 method expands Slater's half occupation technique to infinite
solid state materials by introducing a self-energy potential centered at the
anions to cancel the energy associated with electron-hole self-interaction. To
avoid an infinite summation of long-ranged self-energy potentials they must be
trimmed at a variationally-defined cutoff radius. The method has been
successful in predicting accurate band gaps for a large number of elementary
and binary semiconductors. Nevertheless, there has been some confusion
regarding carbon and silicon, both in the cubic diamond structure, which
require different ionizations of the valence charge, 1/2 for carbon and 1/4 for
silicon respectively, to yield band gaps in agreement with experimental data.
We here analyze the spatial distribution of the valence electrons of these two
materials to conclude that in silicon and in carbon LDA-1/4 and LDA-1/2,
respectively, must be adopted for the proper cancellation of the self-energies.
Such analysis should be applied to other covalent semiconductors in order to
decide which ionization to adopt for the proper correction of the self-energy.

2
The categories of this paper are: math
12
The categories of this paper are: nucl-th
18
The categories of this paper are: econ
19
The categories of this paper are: eess
29
The categories of this paper are: funct-an
33
The categories of this paper are: plasm-ph
5
The categories of this paper are: gr-qc
25
The categories of this paper are: patt-sol
14
The categories of this paper are: math-ph
0
The categories of this paper are: hep-ph
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The categories of this paper are: cs
27
The categories of this paper are: comp-gas
22
The categories of this paper are: chao-dyn
35
The categories of this paper are: mtrl-th
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The categories of this paper are: solv-int
30
The categories of this paper are: q-alg