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\documentclass[11pt]{article}

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\title{CALCULATION OF CO  (7--0) OVERTONE LINE INTENSITIES AND ALL CO BANDS ANALYSIS} 
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\author{\underline{\FirstName O.~L. \LastName POLYANSKY},
\FirstName N.~F. \LastName ZOBOV,
\FirstName J. \LastName TENNYSON}
\address{Department of Physics and Astronomy, University College London,
    Gower Street, London WC1E 6BT, United Kingdom}

\author{\underline{\FirstName G. \LastName LI}}
\address{PTB (Physikalisch-Technische Bundesanstalt),Bundesallee 100,38116,Braunschweig, Germany}
\author{\FirstName A. \LastName KYUBERIS}
\address{Van Swinderen Institute for Particle Physics and Gravity, University Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands}
\author{\FirstName A.  \LastName BALASHOV,
\FirstName K.  \LastName BIELSKA,
\FirstName S.  \LastName WOJTEWICZ,
\FirstName J.  \LastName DOMYSLAWSKA,
\FirstName R.  \LastName CIURYLO,
\FirstName D.  \LastName LISAK}
\address{Institute of Physics, Faculty of Physics, Astronomy and Informatics,
Nicolaus Copernicus University in Torun,
   Grudziadska 5,  87-100, Torun}


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\fancyhead[C]{{\footnotesize \textit{HRMS, 28th Colloquium, Dijon, France,
  Aug. 28 - Sept. 1, 2023}}}
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\category {1,3}
\begin{document}


\maketitle  %% This will also build the list of author(s) and addresse(s).

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Accurate studies of high overtone transitions of CO molecule provide a challenge to both
experiment and theory as the lines are very weak: below $2\times10^{-29}\ \textrm{cm molecule}^{-1}$ at 296 K. The details of the experimental measurements of the lines of 
0-7 band  are given in the
separate, purely experimental talk/poster (and published in the Ref. \footnote{A.	Balashov, 
K. Bielska, G. Li, A. Kyuberis, S. Wojtewicz, J. Domyslawska, R. Ciurylo, N.F. Zobov,
D. Lisak, J. Tennyson, O. L. Polyansky, J. Chem. Phys., accepted, (2023)}
) of the same team of authors (in reverse order). 
In particular, intensities of 14 lines in the  sixth overtone (7--0) band  of carbon monoxide ($^{12}$C$^{16}$O) are measured in the visible range
between 14300 and 14500 $cm^{-1}$ using a frequency-stabilized cavity ring-down spectrometer. 
In this poster we concentrate on the theoretical part of the paper mentioned above. 
Agreement between theory and experiment within the experimental uncertainty  of a few percent
for the 14 lines of 0-7 band of CO 
 is obtained.
However, this agreement is only achieved after issues with stability of the Davidson correction to the  MRCI (multi-reference configuration interaction) calculations
are resolved.

The problem of the theoretical calculations from the first principles of the line intensities of CO
molecule for all the bands, known with high accuracy, that is 0-0, 0-1, 0-2, 0-3, 0-4, 0-6, 0-7 
bands is considered. The calculations are presented, which reproduce  all the above mentioned   experimentally known line intensities close to experimental accuracy


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