Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Electronic structure of Gold, Aluminum and Gallium Superatom Complexes   Using ab-initio computational techniques on crystal determined clusters, we
report on the similarities and differences of Al$_{50}$(C$_5$(CH$_3)_5)_{12}$,
Ga$_{23}$(N(Si(CH$_3)_{3}$)$_{2}$)$_{11}$, and
Au$_{102}$(SC$_7$O$_2$H$_5$)$_{44}$ ligand-protected clusters. Each of the
ligand-protected clusters in this study show the similar stable character which
can be described via a electronic shell model. We show here that the same type
of analysis leads consistently to derive a superatomic electronic counting
rule, independently of the metal and ligand compositions. One can define the
cluster core as the set of atoms where delocalized
single-angular-momentum-character orbitals have hight weight using a
combination of Bader analysis and the evaluation of Khon-Sham orbitals.
Subsequently one can derive the nature of the ligand-core interaction. These
results yield further insight into the superatom analogy for the class of
ligand-protected metal clusters.

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The categories of this paper are: hep-ph
20
The categories of this paper are: acc-phys
18
The categories of this paper are: econ
23
The categories of this paper are: solv-int
15
The categories of this paper are: nucl-ex
22
The categories of this paper are: chao-dyn
37
The categories of this paper are: supr-con
28
The categories of this paper are: alg-geom
19
The categories of this paper are: eess
25
The categories of this paper are: patt-sol
12
The categories of this paper are: nucl-th
34
The categories of this paper are: chem-ph
8
The categories of this paper are: hep-ex
26
The categories of this paper are: bayes-an
11
The categories of this paper are: hep-lat
6
The categories of this paper are: astro-ph