Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Exchange-correlation energy functional constructed from
  orbital-dependent coupling-constant-averaged pair correlation functions   An exchange-correlation energy functional $ E_{\mathrm xc} $ and the
resultant exchange-correlation potential $ v_{\mathrm xc}({\bf r}) $ in
density-functional theory are proposed using orbital-dependent
coupling-constant-averaged pair correlation functions, $ {\bar{g}}^{\sigma
\sigma'}({\bf r, r'})$ for electronic structure calculations of atoms,
molecules, and solids. These orbital-dependent $ {\bar{g}}^{\sigma
\sigma'}({\bf r, r'})$ fulfill the symmetric property, the Pauli principle and
the sum rules. In the limit of uniform density $ {\bar{g}}^{\sigma
\sigma'}({\bf r, r'})$ are reduced to the very accurate analogues of the
electron liquid that are obtained from an interpolation between long- and
short-range correlations involving the exchange corrections. The major
contribution of $ v_{\mathrm xc}({\bf r}) $ is given in the form of the Coulomb
interaction with the exchange-Coulomb hole around an electron. The present
theory not only guarantees local charge neutrality, but also reproduces the
exact asymptotic form of the exchange potential, $ v_{\mathrm x}({\bf r}) = -
e^2 / r $ for finite systems. The present method of dealing with correlations,
if properly applied to finite systems, can give even the asymptotic form of the
correlation potential $ v_{\mathrm c}({\bf r}) $ of order $ r^{-4} $ as well as
the van der Waals potential of order $ r^{-6} $ for large r.

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The categories of this paper are: q-bio
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The categories of this paper are: math-ph
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The categories of this paper are: econ
25
The categories of this paper are: patt-sol
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The categories of this paper are: nucl-ex
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The categories of this paper are: supr-con
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The categories of this paper are: q-alg
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The categories of this paper are: ao-sci
6
The categories of this paper are: astro-ph
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The categories of this paper are: q-fin
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The categories of this paper are: dg-ga
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The categories of this paper are: hep-lat
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The categories of this paper are: nlin
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The categories of this paper are: math
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The categories of this paper are: chem-ph
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The categories of this paper are: atom-ph