✦ LIBER ✦
Extended fenske-hall calculation of inner-shell binding energies using (Z + 1)-bazis sets: Sulfur-containing molecules
✍ Scribed by Ch Zwanziger; H Zwanziger; R Szargan; J Reinhold
- Publisher
- Elsevier Science
- Year
- 1981
- Tongue
- English
- Weight
- 230 KB
- Volume
- 81
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
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.