Relativistic Xα–scattered‐wave calculations for the uranyl ion

Authors

Cary Y. Yang, Santa Clara UniversityFollow
K. H. Johnson
J. A. Horsley

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.

Comments

Copyright © 1978 American Institute of Physics Publishing. Reprinted with permission.

Recommended Citation

C.Y. Yang, K.H. Johnson, and J.A. Horsley, “Relativistic Xα–scattered‐wave calculations for the uranyl ion,” Journal of Chemical Physics 68, 1001-1005 (1978). https://doi.org/10.1063/1.435790