Ab initio molecular orbital calculations have been performed for the assignment of vacuum ultraviolet photoabsorption spectra of SiH4 and Si2H6. Strong peaks in the absorption spectra are primarily due to Rydberg transitions of the Si–H and Si–Si bonding electrons to the 4s, 4p, and 4d orbitals. Substantial contributions of the valence excitations are revealed.
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Kawai et al. (1989) studied this question.
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