Electronic structure and spectral properties of heavy actinides Pu, Am, Cm and Bk

Abstract

Selected electronic properties of Pu, Am, Cm and Bk are calculated with the aid of charge self-consistent LDA + Hubbard I method. Presented all-electron calculations are performed in the full-potential LAPW basis and incorporate spin-orbit interaction.

The results are found to be in good agreement with experimental valence photoelectron spectra as well as with core XAS/EELS spectra of heavy actinides.

Keywords

• Electronic structure
• spectral properties
• heavy
• actinides
• Pu
• Am
• Bk