Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Linear scaling computation of the Fock matrix. VIII. Periodic boundaries
  for exact exchange at the $\Gamma$-point   A translationally invariant formulation of the Hartree-Fock (HF)
$\Gamma$-point approximation is presented. This formulation is achieved through
introduction of the Minimum Image Convention (MIC) at the level of primitive
two-electron integrals, and implemented in a periodic version of the ONX
algorithm [J. Chem. Phys, {\bf 106} 9708 (1997)] for linear scaling computation
of the exchange matrix. Convergence of the HF-MIC $\Gamma$-point model to the
HF ${\bf k}$-space limit is demonstrated for fully periodic magnesium oxide,
ice and diamond. Computation of the diamond lattice constant using the HF-MIC
model together with the hybrid PBE0 density functional [Theochem, {\bf 493} 145
(1999)] yields $a_0=3.569$\AA with the 6-21G* basis set and a $3\times3\times3$
supercell. Linear scaling computation of the HF-MIC exchange matrix is
demonstrated for diamond and ice in the condensed phase

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The categories of this paper are: gr-qc
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The categories of this paper are: hep-ex
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The categories of this paper are: hep-lat
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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: hep-ph
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The categories of this paper are: cmp-lg
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The categories of this paper are: comp-gas
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The categories of this paper are: funct-an
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The categories of this paper are: q-fin
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The categories of this paper are: cs
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The categories of this paper are: math
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The categories of this paper are: nucl-ex
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The categories of this paper are: physics
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The categories of this paper are: patt-sol
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The categories of this paper are: atom-ph