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Probing actinide electronic structure through pu cluster calculations |
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| Authors: | Mickhail V Ryzhkov Alexei Mirmelstein Sung‐Woo Yu Brandon W Chung James G Tobin |
| Institution: | 1. Institute of Solid State Chemistry, Ural Division of the Russian Academy of Science, , Ekaterinburg, Russia;2. Department of Experimental Physics, Russian Federal Nuclear Center, E.I. Zababakhin Institute of Technical Physics (VNIITF), , Snezhinsk, Russia;3. Lawrence Livermore National Laboratory, , Livermore, California, 94550 |
| Abstract: | Calculations of the electronic structure of clusters of plutonium have been performed, within the framework of the relativistic discrete‐variational method. These theoretical results and those calculated earlier for related systems have been compared to spectroscopic data produced in the experimental investigations of bulk systems, including photoelectron spectroscopy. Observation of the changes in the Pu electronic structure as a function of size provides powerful insight for aspects of bulk Pu electronic structure. © 2013 Wiley Periodicals, Inc. |
| Keywords: | electronic structure fully relativistic calculations atomic configurations x‐ray photoelectron spectroscopy properties of materials |