Dodecahydrogen uranium: an icosahedral f-electron superatom with 26-electron shell structure

Andrii Shyichuk, Eugeniusz Zych

A new icosahedral superatom UH${}_{12}$ is reported and analyzed using post-Hartree-Fock multiconfigurational methods. A RASSCF/CASPT2/RASSI/SINGLE_ANISO workflow is employed to dete…