Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Density functional study of the adsorption of K on the Ag(111) surface   Full-potential gradient corrected density functional calculations of the
adsorption of potassium on the Ag(111) surface have been performed. The
considered structures are Ag(111) (root 3 x root 3) R30degree-K and Ag(111) (2
x 2)-K. For the lower coverage, fcc, hcp and bridge site; and for the higher
coverage all considered sites are practically degenerate.
  Substrate rumpling is most important for the top adsorption site. The bond
length is found to be nearly identical for the two coverages, in agreement with
recent experiments. Results from Mulliken populations, bond lengths, core level
shifts and work functions consistently indicate a small charge transfer from
the potassium atom to the substrate, which is slightly larger for the lower
coverage.

10
The categories of this paper are: q-bio
31
The categories of this paper are: ao-sci
2
The categories of this paper are: math
3
The categories of this paper are: physics
30
The categories of this paper are: q-alg
35
The categories of this paper are: mtrl-th
34
The categories of this paper are: chem-ph
33
The categories of this paper are: plasm-ph
1
The categories of this paper are: cs
32
The categories of this paper are: atom-ph
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The categories of this paper are: bayes-an
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The categories of this paper are: comp-gas
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The categories of this paper are: patt-sol
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The categories of this paper are: q-fin
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The categories of this paper are: stat
29
The categories of this paper are: funct-an