AB INITIO CALCULATION FOR THE $1^{3}{\sigma^{-}}_{g}$ STATE OF $K_{2}$

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1995

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Ohio State University

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The $1^{3}{\Sigma^{-}}_{g}$, electronic state of $Li_{2}$ has been recently observed by cw perturbation-facilitated optical-optical double resonance (PFOODR) fluorescence excitation and resolved fluorescence spectroscopic techniques, and compared with configuration interaction $calculations^{1}$. This work presents the ab inition study of the $1^{3}{\Sigma^{-}}_{g}$ state of $K_{2}$, which is also a doubly excited state, 4p+4p. An extensive all-electron configuration interactions were done to find the spectroscopic properties of this state. The binding energy of this state is $3500 cm^{-1}$ which is weaker than in the $Li_{2}$ state, $4280 cm^{-1}$. The rovibrational transition properties are also calculated concerning the $1^{3}{\Sigma^{3}}_{g} \Leftarrow a^{3}\Pi_{u}\leftarrow A^{1}{\Sigma^{+}}_{u}\Leftarrow X^{1}{\Sigma^{+}}_{g}$ transitions. The transition dipole moments for the $1^{3}{\Sigma^{3}}_{g} \Leftarrow a^{3}\Pi_{u}$ and the $A^{1}{\Sigma^{+}}_{u}\Leftarrow X^{1}{\Sigma^{+}}_{g}$ are nearly constant for a wide range of the internuclear distances. In both cases, the principal contribution comes from the $4p \Leftarrow 4s$ atomic transition. This work provides for a sufficient set of data for the experimental search for the $1^{3}{\Sigma^{-}}_{g}$ state of $K_{2}$.

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$^{1}$A. Yiannopoulou, B. Ji, Li Li, M. Li, K. Urbanski, A.M. Lyyra, W.C. Stwalley, and G.-H. Jeung, J. Chem. Phys. 101, 3581 (1994).
Author Institution: Campus d'Orsay, (Bât 505), 91405 Orsay Cedex, France

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