Title

Relativistic Xα–scattered‐wave calculations for the uranyl ion

Document Type

Article

Publication Date

2-1-1978

Publisher

American Institute of Physics Publishing

Abstract

Relativistic Xα–scattered‐wave molecular orbital calculations have been carried out on the uranyl ion UO22+. The calculated orbital eigenvalues are in good agreement with the results of a recent x‐ray photoelectron spectroscopy study of uranyl compounds. An interpretation of the optical spectrum of the uranyl ion in terms of a Hund’s case (c) (ω, ω) coupling scheme is given.

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