Gulzari L. Malli

Superheavy atoms and molecules with occupied 5g spinors—Ubh (Z = 126) and UbhF

All-electron fully relativistic calculations, including electron correlation at the 4-component coupled cluster level of theory, have been carried out on the diatomic fluoride of element 126, UbhF, as well as Ubh and Ubh+. Using large Gaussian basis sets at the CCSD(T) level of t...