Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Van der Waals interactions in DFT made easy by Wannier functions   Ubiquitous Van der Waals interactions between atoms and molecules are
important for many molecular and solid structures. These systems are often
studied from first principles using the Density Functional Theory (DFT).
However, the commonly used DFT functionals fail to capture the essence of Van
der Waals effects. Many attempts to correct for this problem have been
proposed, which are not completely satisfactory because they are either very
complex and computationally expensive or have a basic semiempirical character.
We here describe a novel approach, based on the use of the Maximally-Localized
Wannier functions, that appears to be promising, being simple, efficient,
accurate, and transferable (charge polarization effects are naturally
included). The results of test applications are presented.

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The categories of this paper are: cmp-lg
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The categories of this paper are: eess
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The categories of this paper are: hep-th
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The categories of this paper are: mtrl-th
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The categories of this paper are: ao-sci
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The categories of this paper are: funct-an
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The categories of this paper are: astro-ph
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The categories of this paper are: chao-dyn
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The categories of this paper are: physics
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The categories of this paper are: math
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The categories of this paper are: cs
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The categories of this paper are: patt-sol
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The categories of this paper are: adap-org
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The categories of this paper are: q-alg
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The categories of this paper are: econ
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The categories of this paper are: comp-gas