%%
%% Sample TeX file for the HRMS Dijon 2023 abstracts
%% 
%% Lines (or parts of) beginning with at least one '%' are comments 
%% and are silently ignored by LaTeX
%%
%% Codings beginning with \ are LaTeX macros, or commands.
%% They are used to tell the LaTeX parser how to format the document.
%% All the macros below are mandatory.
%%
%% Various informations about latex may be found at
%%
%%   http://en.wikibooks.org/wiki/LaTeX
%%
%% *-----------------------------------------------------------------------------------------*
\documentclass[11pt]{article}

\usepackage{hrms}  %% Page settings, style ... for the HRMS abstract book.
\usepackage[utf8x]{inputenc}
\usepackage[english,russian]{babel}

%% *-----------------------------------------------------------------------------------------*

\title{ACCURATE FIRST DISSOCIATION LIMIT OF THE OZONE MOLECULE FROM \textit{AB INITIO} CALCULATIONS}

%% Note that \author and \address macros must be paired.
%% The names of authors must also appear IN CAPITALS.
%% The name(s) of author(s) presenting the work is(are) usually underlined.

\author{\FirstName OLEG \LastName EGOROV,
  \FirstName ROMAN V. \LastName KOCHANOV}
\address{Laboratory of Theoretical Spectroscopy, V.E. Zuev Institute of Atmospheric Optics SB RAS 1, Akademician Zuev Sq., Tomsk, 634055 Russia, Tomsk State University 36, Lenin Ave., Tomsk, 634050 Russia}

%% The \FirstName and \LastName macros are mandatory for each author
%% to make sure that the author index is properly auto-generated.
%% Otherwise, these macros do nothing in particular.

%% Add or remove \author and \address pair(s) below to suite your needs

\author{\underline{\FirstName VLADIMIR \LastName TYUTEREV}}
\address{Tomsk State University 36, Lenin Ave., Tomsk, 634050 Russia,
Laboratory of Theoretical Spectroscopy, V.E. Zuev Institute of Atmospheric Optics SB RAS 1, Akademician Zuev Sq., Tomsk, 634055 Russia}

\author{\FirstName VIATCHESLAV \LastName KOKOOULINE}
\address{University of Central Florida, Orlando, USA}

%% *-----------------------------------------------------------------------------------------*

%% Place below other \usepackage{ ... }, if you need other packages.
%% See http://www.tug.org/texlive/doc.html for a description of available packages.

%% The macros below will change the page head and foot.
%% Please, do not modify the content of the \fancyhead macro nor the \fancyfoot line.
\usepackage{fancyhdr}
\pagestyle{fancy}
\fancyhead[C]{{\footnotesize \textit{HRMS, 28th Colloquium, Dijon, France,
  Aug. 28 - Sept. 1, 2023}}}
\fancyfoot[C]{}
\renewcommand{\headrulewidth}{0.6pt}
\renewcommand{\footrulewidth}{0.6pt}

%% The hyperref package allows to include hyperlinks in a document.
%% See the instructions for abstract submission for more details.
%% WARNING: Make sure that this package comes LAST since it re-defines many LaTeX macros.
\usepackage[colorlinks=true,urlcolor=blue,linkcolor=blue,citecolor=blue]{hyperref}
\voffset -.65 cm

%% *-----------------------------------------------------------------------------------------*

\category {1,14}
\begin{document}

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

%% Index macro(s): see the abstract samples and the instructions
%% Remove the %% to account for the index item(s)
%% \index{Item1}
%% \index{Item2}

\index{Ozone}
\index{O3}
\index{dissociation}
\index{De}
\index{ab initio}
\index{Potential energy surface}
\index{Spin-orbit coupling}

In this work a good agreement was achieved between the theoretical and the empirical value of the first dissociation limit (\textit{D}$_e$)
of O$_3$(\textit{\~{X}$^{1}$A$_1$}). 
The \textit{ab initio} calculations were done with the extended CAS(24, 15) active space and with the inclusion of the spin-orbit coupling 
between the nine electronic states approaching in \textit{D}$_e$. 
Finally, the full-dimensional potential energy surface was developed in the scattering (Jacobi) coordinates for the long-range region
(\textit{R}\textsubscript{O\textsubscript{2}-O} $\geq$ 5 a$_0$).

The study was supported by the RSF grant no. 19-12-00171-P.

\end{document}
