Chemical bond in FmO2

The density of electronic states and the XPS spectrum of FmO2 valence electrons in the binding energy range from 0 to similar to 40 eV have been calculated by the fully relativistic method of discrete variation. It is shown that the electrons of the outer and inner valence molecular orbitals (MOs) with binding energies from 0 to similar to 15 eV and from similar to 15 to similar to 40 eV, respectively, contribute to the complex structure of the XPS spectrum of FmO2. The FmO2 MO diagram was constructed and the contribution of the electrons of the outer and inner valence MOs to the chemical bond was estimated.

Automated summary

The density of electronic states and XPS spectrum of FmO2 valence electrons were calculated using the fully relativistic method. It was found that the electrons in the outer and inner valence molecular orbitals contribute to the complex structure of the XPS spectrum in different energy ranges. The MO diagram of FmO2 was constructed and the contribution of the electrons in the outer and inner valence MOs to the chemical bond was estimated.