Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Van der Waals Interactions in DFT using Wannier Functions without
  empirical parameters   A new implementation is proposed for including van der Waals (vdW)
interactions in Density Functional Theory (DFT) using the Maximally-Localized
Wannier functions (MLWFs), which is free from empirical parameters. With
respect to the previous DFT/vdW-WF2 method, in the present DFT/vdW-WF2-x
approach, the empirical, short-range, damping function is replaced by an
estimate of the Pauli exchange repulsion, also obtained by the MLWFs
properties. Applications to systems contained in the popular S22 molecular
database and to the case of an Ar atom interacting with graphite, and
comparison with reference data, indicate that the new method, besides being
more physically founded, also leads to a systematic improvement in the
description of vdW-bonded systems.

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The categories of this paper are: comp-gas
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The categories of this paper are: nlin
37
The categories of this paper are: supr-con
18
The categories of this paper are: econ
0
The categories of this paper are: hep-ph
14
The categories of this paper are: math-ph
6
The categories of this paper are: astro-ph
25
The categories of this paper are: patt-sol
32
The categories of this paper are: atom-ph
12
The categories of this paper are: nucl-th
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The categories of this paper are: q-fin
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The categories of this paper are: dg-ga
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The categories of this paper are: alg-geom
2
The categories of this paper are: math
22
The categories of this paper are: chao-dyn
20
The categories of this paper are: acc-phys