Silane photoabsorption spectra near the Si 2p thresholds:: the geometry of Si 2p excited SiH4

Based on the multiple-scattering self-consistent-field method, we have studied the photoabsorption spectra near the Si 2p thresholds of silane. According to our calculations, the clear assignments of the inner-shell photoabsorption spectra are provided. In comparison with the high-resolution experimental spectra, the geometric structure of the Si 2p-excited SiH4** is recommended to be of a C-2v, Symmetry. More specifically, the Si 2p-excited SiH4** have two bond lengths of 2.50 a.u. and another two bond lengths of 2.77 a.u., and the corresponding two bond angles are 104.0degrees and 112.5degrees respectively.