Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Cohesive energy and structural parameters of binary oxides of groups IIA
  and IIIB from diffusion quantum Monte Carlo   We have applied the diffusion quantum Monte Carlo (DMC) method to calculate
the cohesive energy and the structural parameters of the binary oxides CaO,
SrO, BaO, Sc2O3, Y2O3 and La2O3. The aim of our calculations is to
systematically quantify the accuracy of the DMC method to study this type of
metal oxides. The DMC results were compared with local, semi-local and hybrid
Density Functional Theory (DFT) approximations as well as with experimental
measurements. The DMC method yields cohesive energies for these oxides with a
mean absolute deviation from experimental measurements of 0.18(2) eV, while
with local, semi-local and hybrid DFT approximations the deviation is 3.06,
0.94 and 1.23 eV, respectively. For lattice constants, the mean absolute
deviation in DMC, local, semi-local and hybrid DFT approximations, are
0.017(1), 0.07, 0.05 and 0.04 {\AA}, respectively. DMC is highly accurate
method, outperforming the DFT approximations in describing the cohesive
energies and structural parameters of these binary oxides.

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The categories of this paper are: chem-ph
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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: econ
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The categories of this paper are: eess
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The categories of this paper are: nucl-th
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The categories of this paper are: plasm-ph
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The categories of this paper are: q-fin
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The categories of this paper are: physics
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The categories of this paper are: funct-an
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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: chao-dyn
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The categories of this paper are: astro-ph
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The categories of this paper are: acc-phys
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The categories of this paper are: math