Abstract
Relativistic molecular orbital calculations of the valence electronic structure of UF 6 were done using the discrete-variational Dirac-Slater method (DV-DS). Theoretical ionization energies of the UF 6 valence levels were evaluated by means of Slater's transition-state method. The ionization energies and relative X-ray photoelectron spectrum intensities of UF 6 valence levels calculated in the present work are in good agreement with the experimental X-ray photoelectron spectrum.
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