PSEUDO-POTENTIAL MCSCF STUDY OF THE $X^{1}\Sigma^{+}_{g}$ AND $D^{1}\Sigma^{+}_{u}$ STATES OF THE $I_{2}$ MOLECULE
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Date
1976
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Ohio State University
Abstract
Motivated by the laser prospects of the $I_{2}$-system, we have carried out an accurate study of the states $X^{1}\Sigma^{+}_{g}$ and $D^{1}\Sigma^{+}_{u}$ using the pseudopotentia1 MCSGF method. The spectroscopic data and transition moment data are presented.
Description
Author Institution: Chemistry Division, Argonne National Laboratory