Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Analysis of a capped carbon nanotube (CNT) with linear-scaling
  density-functional theory   The apex region of a capped (5,5) carbon nanotube (CNT) has been modelled
with the DFT package ONETEP, using boundary conditions provided by a classical
calculation with a conducting surface in place of the CNT. Results from the DFT
solution include the Fermi level and the physical distribution and energies of
individual Kohn-Sham orbitals for the CNT tip. Application of an external
electric field changes the orbital number of the highest occupied molecular
orbital (the HOMO) and consequently changes the distribution of the HOMO on the
CNT.

19
The categories of this paper are: eess
0
The categories of this paper are: hep-ph
32
The categories of this paper are: atom-ph
28
The categories of this paper are: alg-geom
33
The categories of this paper are: plasm-ph
7
The categories of this paper are: hep-th
25
The categories of this paper are: patt-sol
10
The categories of this paper are: q-bio
1
The categories of this paper are: cs
5
The categories of this paper are: gr-qc
11
The categories of this paper are: hep-lat
6
The categories of this paper are: astro-ph
26
The categories of this paper are: bayes-an
14
The categories of this paper are: math-ph
21
The categories of this paper are: adap-org
36
The categories of this paper are: cmp-lg