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Mickhail V. Ryzhkov, Alexei Mirmelstein, Sung-Woo Yu, Brandon W. Chung and James G. Tobin Probing actinide electronic structure through pu cluster calculations International Journal of Quantum Chemistry 113

Article first published online: 26 FEB 2013 | DOI: 10.1002/qua.24417

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Metallic plutonium is a unique material from a chemical point of view. A clear understanding of the electron distribution over s, p, d, and f states could increase the ability of scientists to explain some of its important chemical and physical properties. This article presents the results of cluster calculations of the changes in the Pu atomic configurations as a function of cluster size in cubic crystal using a fully relativistic method.

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