Computational Chemistry and Molecular Modeling
Atomic, Molecular and Optical Physics
Wiley InterScience Backfile Collection 1832-2000
Chemistry and Pharmacology
The elastic, inelastic, and total intensities for x-ray and high-energy electron scattering from the 10-electron systems Ne, HF, H2O, NH3, and CH4 have been calculated by using SCF-MO wave functions obtained with double-zeta quality bases of Gaussian contractd wave functions. The effect of molecular binding and various other trends and systematics in the intensities have been examined with the help of difference functions computed between the present scattering intensities and those for the indpendent atom model (IAM).
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