TY - JOUR
T1 - Atomic properties of elements 114 and 118 and their adsorption on inert surfaces
AU - Borschevsky, A.
AU - Pershina, V.
AU - Eliav, E.
AU - Kaldor, U.
PY - 2012
Y1 - 2012
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=84883006625&partnerID=8YFLogxK
U2 - 10.1051/epjconf/20123505002
DO - 10.1051/epjconf/20123505002
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AN - SCOPUS:84883006625
SN - 2101-6275
VL - 35
JO - EPJ Web of Conferences
JF - EPJ Web of Conferences
M1 - 05002
T2 - 1st Heavy Ion Accelerator Symposium on Fundamental and Applied Science, HIAS 2012
Y2 - 11 April 2012 through 13 April 2012
ER -