Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Closed-shell interaction in silver and gold chlorides   Hartree-Fock and coupled-cluster calculations have been performed for cubic
AgCl and for AuCl having a cubic or the observed structure with space group
I4_1/amd. Cohesive energies and lattice constants are in excellent agreement
with experiment for AgCl; for AuCl we find good agreement, and the experimental
structure is correctly predicted to be lower in energy than the cubic one.
Electron-correlation effects on lattice constants are very large, of up to 0.8
\AA for cubic AuCl. We especially discuss the strength of the closed-shell
interactions, and for the first time a quantitative analysis of the so-called
"aurophilic" Au(I)-Au(I) interaction is presented in solids.

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The categories of this paper are: astro-ph
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The categories of this paper are: bayes-an
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The categories of this paper are: gr-qc
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The categories of this paper are: econ
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The categories of this paper are: eess
2
The categories of this paper are: math
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The categories of this paper are: stat
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The categories of this paper are: funct-an
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The categories of this paper are: quant-ph
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The categories of this paper are: comp-gas
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The categories of this paper are: plasm-ph
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The categories of this paper are: cmp-lg
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The categories of this paper are: ao-sci
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The categories of this paper are: dg-ga
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The categories of this paper are: nucl-ex
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The categories of this paper are: cs