Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Raman and Infrared spectra of (BaF2)n (n=1-6) clusters   The vibrational properties of alkaline-earth metal fluoride clusters (BaF2)n
(n=1-6) are investigated in the framework of density functional theory. The
calculated Raman and Infrared (IR) spectra reveals shift in Raman and IR peak
position towards lower frequency region with the increase in the cluster size.
Further the calculated spectra have been compared with the experimental
vibrational spectra of bulk BaF2 crystal. Even though the smaller size cluster
lacks translational symmetry, the structural and vibrational characteristic of
(BaF2)5-6 are nearer to bulk counterpart.

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The categories of this paper are: hep-ex
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The categories of this paper are: nucl-th
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The categories of this paper are: nlin
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The categories of this paper are: nucl-ex
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The categories of this paper are: atom-ph
28
The categories of this paper are: alg-geom
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The categories of this paper are: astro-ph
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The categories of this paper are: ao-sci
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The categories of this paper are: chao-dyn
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The categories of this paper are: econ
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The categories of this paper are: cmp-lg
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The categories of this paper are: q-bio
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The categories of this paper are: bayes-an
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The categories of this paper are: mtrl-th
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The categories of this paper are: math-ph
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The categories of this paper are: q-alg