Geometric structure of SiF

Molecular orbital Calculated atomic-orbital composition Intensities  

Additional information on orbital type and composition is available from (e,2e) or electron momentum spectroscopy (Moore et al., 1982 see Appendix B) performed on Sip4 by Fantoni et al. (1986). Electron momentum distributions measured at various binding energies have been compared with those from ah initio Hartree-Fock-Roothaan SCF calculations using a double- wave function with a single Si 3of polarization 

It is thus apparent that ground-state structural and energetic properties of (SiO) and SiF4 can be calculated quite accurately using Hartree- 

Fock theory with many-body perturbation corrections for correlation. Much progress has also been made in the calculation of spectral properties, although it remains difficult to calculate intensities in photoemission and x-ray absorption spectra. 

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