Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Validating First-Principles Phonon Lifetimes via Inelastic Neutron
  Scattering   Phonon lifetimes are a key component of quasiparticle theories of transport,
yet first-principles lifetimes are rarely directly compared to inelastic
neutron scattering (INS) results. Existing comparisons show discrepancies even
at temperatures where perturbation theory is expected to be reliable. In this
work, we demonstrate that the reciprocal space voxel ($q$-voxel), which is the
finite region in reciprocal space required in INS data analysis, must be
explicitly accounted for within theory in order to draw a meaningful
comparison. We demonstrate accurate predictions of peak widths of the
scattering function when accounting for the $q$-voxel in CaF$_2$ and ThO$_2$.
Passing this test implies high fidelity of the phonon interactions and the
approximations used to compute the Green's function, serving as critical
benchmark of theory, and indicating that other material properties should be
accurately predicted; which we demonstrate for thermal conductivity.

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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: mtrl-th
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The categories of this paper are: quant-ph
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The categories of this paper are: econ
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The categories of this paper are: solv-int
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The categories of this paper are: adap-org
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The categories of this paper are: cmp-lg
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The categories of this paper are: astro-ph
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The categories of this paper are: physics
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The categories of this paper are: atom-ph
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The categories of this paper are: funct-an
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The categories of this paper are: dg-ga
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The categories of this paper are: q-bio
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The categories of this paper are: math
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The categories of this paper are: math-ph