Comparison of Spectroscopic Data with Cluster Calculations of Plutonium, Plutonium Dioxide and Uranium Dioxide
Abstract
Using spectroscopic data produced in the experimental investigations of bulk systems, including X-Ray Absorption Spectroscopy (XAS), Photoelectron Spectroscopy (PES) and Bremstrahlung Isochromat Spectroscopy (BIS), the theoretical results within for UO{sub 2}{sup 6}, PuO{sub 2}{sup 6} and Pu{sup 7} clusters have been evaluated. The calculations of the electronic structure of the clusters have been performed within the framework of the Relativistic Discrete-Variational Method (RDV). The comparisons between the LLNL experimental data and the Russian calculations are quite favorable. The cluster calculations may represent a new and useful avenue to address unresolved questions within the field of actinide electron structure, particularly that of Pu. Observation of the changes in the Pu electronic structure as a function of size suggests interesting implications for bulk Pu electronic structure.
- Authors:
- Publication Date:
- Research Org.:
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1047772
- Report Number(s):
- LLNL-CONF-560512
Journal ID: ISSN 0734-2101; TRN: US1204035
- DOE Contract Number:
- W-7405-ENG-48
- Resource Type:
- Conference
- Resource Relation:
- Journal Volume: 31; Journal Issue: 1; Conference: Presented at: 12th Russian-US Pu Workshop, Oxford, United Kingdom, Jul 20 - Jul 22, 2012
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ABSORPTION SPECTROSCOPY; ACTINIDES; ELECTRONIC STRUCTURE; ELECTRONS; LAWRENCE LIVERMORE NATIONAL LABORATORY; PHOTOELECTRON SPECTROSCOPY; PLUTONIUM; PLUTONIUM DIOXIDE; SPECTROSCOPY; URANIUM DIOXIDE
Citation Formats
Tobin, J G, Yu, S W, Chung, B W, Ryzhkov, M V, and Mirmelstein, A. Comparison of Spectroscopic Data with Cluster Calculations of Plutonium, Plutonium Dioxide and Uranium Dioxide. United States: N. p., 2012.
Web. doi:10.1116/1.4772959.
Tobin, J G, Yu, S W, Chung, B W, Ryzhkov, M V, & Mirmelstein, A. Comparison of Spectroscopic Data with Cluster Calculations of Plutonium, Plutonium Dioxide and Uranium Dioxide. United States. https://doi.org/10.1116/1.4772959
Tobin, J G, Yu, S W, Chung, B W, Ryzhkov, M V, and Mirmelstein, A. 2012.
"Comparison of Spectroscopic Data with Cluster Calculations of Plutonium, Plutonium Dioxide and Uranium Dioxide". United States. https://doi.org/10.1116/1.4772959. https://www.osti.gov/servlets/purl/1047772.
@article{osti_1047772,
title = {Comparison of Spectroscopic Data with Cluster Calculations of Plutonium, Plutonium Dioxide and Uranium Dioxide},
author = {Tobin, J G and Yu, S W and Chung, B W and Ryzhkov, M V and Mirmelstein, A},
abstractNote = {Using spectroscopic data produced in the experimental investigations of bulk systems, including X-Ray Absorption Spectroscopy (XAS), Photoelectron Spectroscopy (PES) and Bremstrahlung Isochromat Spectroscopy (BIS), the theoretical results within for UO{sub 2}{sup 6}, PuO{sub 2}{sup 6} and Pu{sup 7} clusters have been evaluated. The calculations of the electronic structure of the clusters have been performed within the framework of the Relativistic Discrete-Variational Method (RDV). The comparisons between the LLNL experimental data and the Russian calculations are quite favorable. The cluster calculations may represent a new and useful avenue to address unresolved questions within the field of actinide electron structure, particularly that of Pu. Observation of the changes in the Pu electronic structure as a function of size suggests interesting implications for bulk Pu electronic structure.},
doi = {10.1116/1.4772959},
url = {https://www.osti.gov/biblio/1047772},
journal = {},
issn = {0734-2101},
number = 1,
volume = 31,
place = {United States},
year = {Tue May 15 00:00:00 EDT 2012},
month = {Tue May 15 00:00:00 EDT 2012}
}