The chemistry of superheavy elements. III. Theoretical studies on element 113 compounds

  title={The chemistry of superheavy elements. III. Theoretical studies on element 113 compounds},
  author={M. Seth and P. Schwerdtfeger and K. F{\ae}gri},
  journal={Journal of Chemical Physics},
The chemistry of element 113 is investigated by theoretical methods. The results of fully relativistic calculations for (113)H and (113)F are compared with those derived by other techniques to obtain an indication of the accuracy of the more approximate models as well as the importance of including scalar and/or spin–orbit relativistic effects. Both of these effects are found to be important. The spin–orbit coupled pseudopotential approximation yields results of satisfactory accuracy, but the… Expand
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