Knowledge Bank

In a study of radiative and collision processes involved in molecular rare gas lasers, ab initio configuration interaction wave functions, potential curves, and pertinent matrix elements are being calculated for the ground and some excited states of the $Ne2$ and $Ne2+$ molecules. It is hoped that the present results will be useful in determining pseudopotentials and further analyzing larger rare gas systems. The lower manifold of excited states of $Ne2$, the $\mathrm{<mrow\; data-mjx-texclass="ORD">1,3</mrow>}\Sigma g,u+$ and the associated ``core” states of $Ne2+$, the $\mathrm{<mrow\; data-mjx-texclass="ORD">2</mrow>}\Sigma g,u+$, have been considered. Medium size generalized valence bond wave functions are used. The optimized wave functions are being examined to check the adequacy of a pseudopotential for the excited states of $Ne2$. Oscillator strengths for the allowed transitions in the $Ne2$ system are being calculated. Results will be compared to the recent experimental spectroscopic analysis of Tanaka and $Yoshino.1$