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 Title: Bonding of alkali-alkaline earth molecules in the lowest Σ+ states of doublet and quartet multiplicity Author(s): Pototschnig, Johann V. Contributor(s): Ernst, Wolfgang E.; Hauser, Andreas W. Subject(s): Fundamental interest Abstract: \begin{wrapfigure}{r}{0pt} \includegraphics[scale=0.6]{ak_ake.eps} \end{wrapfigure} In the present study the ground state as well as the lowest $^4\Sigma^+$ state were determined for 16 AK-AKE molecules.\footnote{ J. V. Pototschnig, A. W. Hauser and W. E. Ernst, Phys. Chem. Chem. Phys., 2016,18, 5964-5973} Multireference configuration interaction calculations were carried out in order to understand the bonding of diatomic alkali-alkaline earth (AK-AKE) molecules. The correlations between molecular properties (disociation energy, bond distances, electric dipole moment) and atomic properties (electronegativity, polarizability) will be discussed. A correlation between the dissociation energy and the dipole moment of the lowest $^4\Sigma^+$ state was observed, while the dipole moment of the lowest $^2\Sigma^+$ state does not show such a simple dependency. In this case an empirical relation could be established. The class of AK-AKE molecules was selected for this investigation due to their possible applications in ultracold molecular physics. Issue Date: 2016-06-21 Publisher: International Symposium on Molecular Spectroscopy Genre: Conference Paper/Presentation Type: Text Language: En URI: http://hdl.handle.net/2142/91255 Rights Information: Copyright 2016 by the authors Date Available in IDEALS: 2017-01-26
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