We present fully relativistic coupled cluster calculations of ionization potentials, electron affinities, and polarizabilities of superheavy elements 114 and 118, along with their lighter homologues, lead and radon. The combination of the 4-component Dirac Hamiltonian with the state of the art coupled cluster approach allows us to achieve very good agreement with experimental values for the lighter elements; similar precision can be expected for our predictions for the superheavy atoms. The trends in the atomic properties are discussed, demonstrating the strong relativistic effects. Using the calculated atomic properties, adsorption enthalpies of the superheavy atoms on inert surfaces are estimated and shown to be rather low for both elements.
|EPJ Web of Conferences
|Published - 2012
|1st Heavy Ion Accelerator Symposium on Fundamental and Applied Science, HIAS 2012 - Canberra, ACT, Australia
Duration: 11 Apr 2012 → 13 Apr 2012