Author/Authors :
Zaitsevskii، نويسنده , , Andréi and Titov، نويسنده , , Anatoly V. and Rusakov، نويسنده , , Alexander A. and van Wüllen، نويسنده , , Christoph، نويسنده ,
Abstract :
A comparative study of the interactions of element 113 and its lighter homologue Tl with gold is presented. The analysis is based on electronic structure calculations on small E113Aun (TlAun) complexes combining highly accurate ab initio electron correlation treatment and the estimation of magnetic effects at the two-component relativistic density functional theory level. Implications for the modeling of the adsorption of E113 on gold surface are discussed.
