AB-INITIO CALCULATION OF SPIN-ORBIT EFFECTS IN THE VALENCE STATES OF BS
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Publisher:Ohio State University
Ab-initio calculations, have been performed to understand the influence spin-orbit interaction upon the fine structure of the observed valence doublet states of the BS molecules: spin-orbit splittings, $\gamma$-type and A-type doublings, spectroscopic perturbations. Configuration interaction is shown to be an essential feature in order to account for the observed data. Agreement between calculated and observed values is good (in general better than 5%). Other properties of the electronic states (transition energies, dipole moments) have also been calculated.
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