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A multiple-scattering Xα study of silane and germane

✍ Scribed by M.L. Sink; G.E. Juras

Book ID
103009302
Publisher
Elsevier Science
Year
1973
Tongue
English
Weight
486 KB
Volume
20
Category
Article
ISSN
0009-2614

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✦ Synopsis

Calculations for some of the group IV hydrides using the mu!tiple-scattering XCC (MS Xo..) method are reported, and the results are compared with available experimental data and previous calculations, in those cases where such calculations exist. From these comparisons it appears that ionization potentials and transition energies can be adequately calculated by the his Xa method; however, in its present muffin-tin-restricted form the method gives binding energies and bond lengths that are in disagreement with experimen:.

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