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ABSTRACT

Green 1983

Green, S., 1983: Theoretical study of silicon dicarbide. Astrophys. J., 266, 895-901, doi:10.1086/160837.

The ground state of silicon dicarbide is predicted from self-consistent field (SCF) calculations to be linear SiCC with a closed shell 1Σ+ electronic structure, confirming previous experimental analyses. A number of low-lying electronic states are predicted from SCF and limited configuration interaction (SI) calculations to have vertical excitation energies in the range of ~1.5 to 3 eV. Although the assignment of the observed optical transition near 2.5 eV as 1Σ+-1Π is supported, it is suggested that the upper states may be strongly perturbed.

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