P. Palmieri, A. O. Mitrushenkov, R. Tarroni and T. Thorsteinsson.
J. Chem. Soc. Faraday Trans. 94, 3061-3066 (1998).

Abstract

The fine structure of the A2Piu(v=1,2) <- X2Sigma+g(v=0) vibronic transitions of Si2 is evaluated theoretically by MRCI computations of the potential energy curves and spin-orbit interactions for the two electronic states. The fine structure components of the two transitions are then compared to the experimental frequencies after corrections for size-consistency and spin-orbit matrix elements.

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