Extended fenske-hall calculation of inne
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Ch Zwanziger; H Zwanziger; R Szargan; J Reinhold
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Article
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1981
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Elsevier Science
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English
β 230 KB
It is shown that the Sls and S2p binding energies and their chemical shifts in the molecules H2S, SO2, SF6 and COS obtained with hole-state calculations using an extended Fenske-HaU method are in good agreement with experimental values if mixed (Z + 1)-basis sets are applied.