Bulletin of the Chemical Society of Japan · 1973 · 67 citations · 20 references
Natural SciencesChemistryPhysicsCondensed Matter PhysicsSpectroscopic AnalysisSpectroscopyElectron DiffractionHartree-fock TheoryElectron Diffraction IntensitiesElectron Diffraction TheoryRelativistic Hartree-fock
Abstract Electron scattering by dimethylmercury has been studied for 42 keV electrons. The theoretical scattering factors currently used have shown satisfactory conformity to the observed scattering intensity, with the following distance parameters: rg(Hg–C)=2.083±0.005 Å, rg(Hg…H)=2.71±0.02 Å, and rg(C–H)=1.106 Å (assumed). A comparison of the background functions has revealed that the scattering factors based on the relativistic Hartree-Fock-Slater potential are better than those based on the Thomas-Fermi-Dirac and Thomas-Fermi potentials. The zero-point average distance determined from the spectroscopic data has shown significant inconsistency with the diffraction result. The diffraction value is shorter than the spectroscopic one by 0.015 Å.
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Compton Scattering Factors for Aspherical Free Atoms
D. T. Cromer · The Journal of Chemical Physics · 1969 · 399 citations