Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Surprisingly Good Performance of XYG3 Family Functionals Using Scaled
  KS-MP3 Correlation   By adding a GLPT3 (third-order G\"orling-Levy perturbation theory, or KS-MP3)
term E3 to the XYG7 form for a double hybrid, we are able to bring down WTMAD2
(weighted total mean absolute deviation) for the very large and chemically
diverse GMTKN55 benchmark to an unprecedented 1.17 kcal/mol, competitive with
much costlier composite wavefunction ab initio approaches. Intriguingly: (a)
the introduction of E3 makes an empirical dispersion correction redundant; (b)
GGA or mGGA semilocal correlation functionals offer no advantage over LDA in
this framework; (c) if a dispersion correction is retained, then simple Slater
exchange leads to no significant loss in accuracy. It is possible to create a
6-parameter functional with WTMAD2=1.42 that has no post-LDA DFT components and
no dispersion correction in the final energy.

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The categories of this paper are: chem-ph
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The categories of this paper are: adap-org
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The categories of this paper are: ao-sci
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The categories of this paper are: nucl-ex
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The categories of this paper are: cmp-lg
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The categories of this paper are: acc-phys
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The categories of this paper are: nucl-th
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The categories of this paper are: q-bio
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The categories of this paper are: plasm-ph
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The categories of this paper are: q-alg
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The categories of this paper are: dg-ga
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The categories of this paper are: solv-int
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The categories of this paper are: math-ph
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The categories of this paper are: gr-qc
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The categories of this paper are: cond-mat
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The categories of this paper are: hep-ex