Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Potential energy surface, dipole moment surface and the intensity
  calculations for the 10 micron, 5 micron, and 3 micron bands of ozone   Monitoring ozone concentrations in the Earth's atmosphere using spectroscopic
methods is a major activity which undertaken both from the ground and from
space. However there are long-running issues of consistency between
measurements made at infrared (IR) and ultraviolet (UV) wavelengths. In
addition, key O$_3$ IR bands at 10 \muu, 5 \muu\ and 3 \muu\ also yield results
which differ by a few percent when used for retrievals. These problems stem
from the underlying laboratory measurements of the line intensities. Here we
use quantum chemical techniques, first principles electronic structure and
variational nuclear-motion calculations, to address this problem. A new
high-accuracy \ai\ dipole moment surface (DMS) is computed. Several
spectroscopically-determined potential energy surfaces (PESs) are constructed
by fitting to empirical energy levels in the region below 7000 \cm\ starting
from an \ai\ PES. Nuclear motion calculations using these new surfaces allow
the unambiguous determination of the intensities of 10 \muu\ band transitions,
and the computation of the intensities of 10 \muu\ and 5 \muu\ bands within
their experimental error. A decrease in intensities within the 3 \muu\ is
predicted which appears consistent with atmospheric retrievals. The PES and DMS
form a suitable starting point both for the computation of comprehensive ozone
line lists and for future calculations of electronic transition intensities

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The categories of this paper are: comp-gas
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The categories of this paper are: adap-org
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The categories of this paper are: atom-ph
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The categories of this paper are: eess
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The categories of this paper are: patt-sol
14
The categories of this paper are: math-ph
8
The categories of this paper are: hep-ex
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The categories of this paper are: econ
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The categories of this paper are: nucl-ex
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The categories of this paper are: cond-mat
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The categories of this paper are: nlin
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The categories of this paper are: astro-ph
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The categories of this paper are: q-bio
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The categories of this paper are: quant-ph
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The categories of this paper are: hep-lat
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The categories of this paper are: solv-int