Dirac-Fock-Breit-Gaunt calculations for the reaction Og + 6 CO -> Og(CO)6 or Og(OC)6
arXiv:2106.02074
Abstract
Our all electron (DFBG) calculations show differences between relativistic and non-relativistic calculations for the structure of the isomers of Og(CO)6
The present calculations do not include electron correlation effects which are very significant but their accurate calculation would require an order of magnitude computational expense as compared to the present relativistic calculations