The chemistry of the superheavy elements. I. Pseudopotentials for 111 and 112 and relativistic

Seth, Michael; Schwerdtfeger, Peter
March 1997
Journal of Chemical Physics;3/1/1997, Vol. 106 Issue 9, p3623
Academic Journal
Presents one- and two-component relativistic and nonrelativistic energy adjusted pseudopotentials and basis sets for the elements 111 and 112. Calculations on the positively charged monohydride of the superheavy element 112; Electron correlation; Couple cluster level and fine structure effects derived.


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