Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Surface structure in simple liquid metals. An orbital free first
  principles study   Molecular dynamics simulations of the liquid-vapour interfaces in simple
sp-bonded liquid metals have been performed using first principles methods.
Results are presented for liquid Li, Na, K, Rb, Cs, Mg, Ba, Al, Tl, and Si at
thermodynamic conditions near their respective triple points, for samples of
2000 particles in a slab geometry. The longitudinal ionic density profiles
exhibit a pronounced stratification extending several atomic diameters into the
bulk, which is a feature already experimentally observed in liquid K, Ga, In,
Sn and Hg. The wavelength of the ionic oscillations shows a good scaling with
the radii of the associated Wigner-Seitz spheres. The structural rearrangements
at the interface are analyzed in terms of the transverse pair correlation
function, the coordination number and the bond-angle distribution between
nearest neighbors. The valence electronic density profile also shows (weaker)
oscillations whose phase, with respect to those of the ionic profile, changes
from opposite phase in the alkalis to almost in-phase for Si.

24
The categories of this paper are: dg-ga
26
The categories of this paper are: bayes-an
32
The categories of this paper are: atom-ph
8
The categories of this paper are: hep-ex
28
The categories of this paper are: alg-geom
35
The categories of this paper are: mtrl-th
30
The categories of this paper are: q-alg
22
The categories of this paper are: chao-dyn
18
The categories of this paper are: econ
2
The categories of this paper are: math
23
The categories of this paper are: solv-int
21
The categories of this paper are: adap-org
29
The categories of this paper are: funct-an
13
The categories of this paper are: quant-ph
27
The categories of this paper are: comp-gas
1
The categories of this paper are: cs