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\documentclass[11pt]{article}
\usepackage{hrms}  %% Page settings, style ... for the HRMS abstract book.



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\title{ISOTOPE EFFECTS IN THE RO-VIBRATIONAL SPECTRUM OF FORMALDEHYDE}

%% Note that \author and \address macros must be paired.
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\author{\underline{\FirstName OLEKSIY~A. \LastName SMOLA},
  \FirstName SERGEI~N.\LastName YURCHENKO and
  \FirstName JONATHAN \LastName TENNYSON}
\address{Department of Physics and Astronomy, University College London, Gower Street, WC1E 6BT London, United Kingdom}

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\usepackage{fancyhdr}
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\fancyhead[C]{{\footnotesize \textit{HRMS, 28th Colloquium, Dijon, France,
  Aug. 28 - Sept. 1, 2023}}}
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\usepackage[colorlinks=true,urlcolor=blue,linkcolor=blue,citecolor=blue]{hyperref}
\voffset -.65 cm

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\category {1,3}
\begin{document}

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%\index{Time-resolved}


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\begin{abstract}

%Molecular spectra for a range of isotopic species offers a means of determining isotopic abundances in astrophysical settings.

%The production of accurate line lists for certain isotopologues can greatly depend on the availability of experimental data.

We present ro-vibrational line lists for three isotopologues of  formaldehyde
(H$_2$CO), D$_2$$^{12}$C$^{16}$O, H$_2$$^{13}$C$^{16}$O and D$_2$$^{13}$C$^{16}$O,
computed using the variational nuclear-motion program TROVE (Theoretical ROVibrational
Energies)\footnote{\href{http://dx.doi.org/10.1016/j.jms.2007.07.009}{
doi:10.1016/j.jms.2007.07.009} S.N. Yurchenko, W. Thiel, and Per Jensen, J. Mol.
Spectrosc., 245, 126 (2007)} in conjunction with an empirical potential energy
surface (PES) by Al-Refaie et al.
(2015)\footnote{\href{http://dx.doi.org/10.1016/j.jms.2007.07.005}{
doi:10.1016/j.jms.2007.07.005} A. F. Al-Refaie, A. Yachmenev, J. Tennyson, and
S.N. Yurchenko.  Mon. Not. R. Astron. Soc., 448, 1704 (2015)}  H2CO-AYTY. In
order to take into account the effects introduced by the isotope substitutions,
a mass-dependent correction to the H2CO-AYTY PES was constructed by fitting to
the ro-vibrational energies of D$_2$$^{12}$C$^{16}$O, H$_2$$^{13}$C$^{16}$O and
D$_2$$^{13}$C$^{16}$O, experimentally derived through the MARVEL
procedure.\footnote{\href{http://dx.doi.org/10.1093/mnras/stv091}{
doi:10.1093/mnras/stv091} T. Furtenbacher,  A. G. Cs\'asz\'ar and  J. Tennyson,
J. Mol. Spectrosc., 245, 115, (2007)} We show that the mass-depended PES
constructed using this procedure retains the quality of the parent molecule for
all three  isotopologues.  We aim to use it for production of accurate
ro-vibrational line lists for other isotopologues as part of the ExoMol
project.\footnote{\href{http://dx.doi.org/10.1016/j.jqsrt.2020.107228}{
doi:10.1016/j.jqsrt.2020.107228} J. Tennyson et al., J. Quant. Spectrosc.
Radiat. Transf., 255, 107228, (2020)}





\end{abstract}
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