Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: A density functional theory based comparative study of hybrid
  photoemissions from Cl@C60, Br@C60 and I@C60   Photoionization from atom-C60 hybrid levels in halogen endufullerene
molecules, Cl@C60, Br@C60 and I@C60, are calculated using a linear response
density functional method. Both the ordinary electron-configuration where the
open shell halogen is at the center of C60 and the stable configuration after
the atom receives an electron from C60 to form a closed shell anion are
considered. Similar ground state hybridization is found for all three systems
while, in general, a slight weakening of the effect is noticed after the
electron transfer. At lower photon energies, cross sections of the outer hybrid
levels attain identical shapes from enhancements driven by the C60 plasmon
resonances, while the higher energy emissions remain distinguishable from the
differences in atomic responses. These results further show near insensitivity
to the choice of a configuration. The inner hybrid cross sections in general
exhibit similar overall structures, although differ in details between
molecules. However, for these states the results significantly differ before
and after the electron transfer -- a feature that can be useful to
experimentally determine the real configuration of the molecules via
photoelectron spectroscopy.

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The categories of this paper are: hep-ph
1
The categories of this paper are: cs
33
The categories of this paper are: plasm-ph
4
The categories of this paper are: cond-mat
21
The categories of this paper are: adap-org
16
The categories of this paper are: stat
36
The categories of this paper are: cmp-lg
31
The categories of this paper are: ao-sci
12
The categories of this paper are: nucl-th
6
The categories of this paper are: astro-ph
22
The categories of this paper are: chao-dyn
24
The categories of this paper are: dg-ga
32
The categories of this paper are: atom-ph
18
The categories of this paper are: econ
29
The categories of this paper are: funct-an
11
The categories of this paper are: hep-lat