Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: The S66 noncovalent interactions benchmark reconsidered using explicitly
  correlated methods near the basis set limit   The S66 benchmark for noncovalent interactions has been re-evaluated using
explicitly correlated methods with basis sets near the one-particle basis set
limit. It is found that post-MP2 "high-level corrections" are treated
adequately well using a combination of CCSD(F12*) with (aug-)cc-pVTZ-F12 basis
sets on the one hand, and (T) extrapolated from conventional
CCSD(T)/heavy-aug-cc-pV{D,T}Z on the other hand. Implications for earlier
benchmarks on the larger S66x8 problem set in particular, and for accurate
calculations on noncovalent interactions in general, are discussed. At a slight
cost in accuracy, (T) can be considerably accelerated by using sano-V{D,T}Z+
basis sets, while half-counterpoise CCSD(F12*)(T)/cc-pVDZ-F12 offers the best
compromise between accuracy and computational cost.

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The categories of this paper are: gr-qc
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The categories of this paper are: eess
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The categories of this paper are: stat
34
The categories of this paper are: chem-ph
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The categories of this paper are: comp-gas
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The categories of this paper are: q-alg
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The categories of this paper are: chao-dyn
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The categories of this paper are: quant-ph
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The categories of this paper are: math
15
The categories of this paper are: nucl-ex
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The categories of this paper are: hep-th
28
The categories of this paper are: alg-geom
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The categories of this paper are: adap-org
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The categories of this paper are: nlin
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The categories of this paper are: bayes-an
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The categories of this paper are: nucl-th