Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: A hybrid variational-perturbation calculation of the ro-vibrational
  spectrum of nitric acid   Rotation-vibration spectra of the nitric acid molecule, HNO\3, are calculated
for wavenumbers up to 7000~\cm. Calculations are performed using a Hamiltonian
expressed in internal curvilinear vibrational coordinates solved using a hybrid
variational-perturbation method. An initial potential energy surface (PES) and
dipole moment function (DMF) are calculated {\it ab initio} at the
CCSD(T)/aug-cc-pVQZ level of theory. Parameters of the PES and DMF are varied
to minimize differences between the calculated and experimental transition
frequencies and intensities. The average, absolute deviation between calculated
and experimental values is 0.2~\cm\ for frequencies in the fundamental bands
and 0.4~\cm\ for those in the first overtone and lowest combination bands. For
the intensities, the calculated and experimental values differ by 0.3\% and
40\% for the fundamentals and overtones, respectively. The optimized PES and
DMF are used to calculate the room-temperature ro-vibrational spectrum. These
calculation reproduce both the form of the absorption bands, and fine details
of the observed spectra, including the rotational structure of the vibrational
bands and the numerous hot absorption band. Many of these hot bands are found
to be missing from the compilation in HITRAN. A room temperature line list
comprising $2 \times 10^{9}$ lines is computed.

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The categories of this paper are: nucl-ex
22
The categories of this paper are: chao-dyn
19
The categories of this paper are: eess
24
The categories of this paper are: dg-ga
37
The categories of this paper are: supr-con
35
The categories of this paper are: mtrl-th
10
The categories of this paper are: q-bio
14
The categories of this paper are: math-ph
33
The categories of this paper are: plasm-ph
36
The categories of this paper are: cmp-lg
1
The categories of this paper are: cs
2
The categories of this paper are: math
0
The categories of this paper are: hep-ph
11
The categories of this paper are: hep-lat
7
The categories of this paper are: hep-th
16
The categories of this paper are: stat