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Title: Probing Actinide Electronic Structure through Pu Cluster Calculations

Abstract

The calculations for the electronic structure of clusters of plutonium have been performed, within the framework of the relativistic discrete-variational method. Moreover, 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.

Authors:
 [1];  [2];  [3];  [3];  [3]
  1. Russian Academy of Sciences (RAS), Ekaterinburg (Russian Federation)
  2. Russian Federal Nuclear Center, Snezhinsk (Russia)
  3. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1237579
Report Number(s):
LLNL-JRNL-524554
Journal ID: ISSN 0020-7608
Grant/Contract Number:  
AC52-07NA27344
Resource Type:
Accepted Manuscript
Journal Name:
International Journal of Quantum Chemistry
Additional Journal Information:
Journal Volume: 113; Journal ID: ISSN 0020-7608
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Ryzhkov, Mickhail V., Mirmelstein, Alexei, Yu, Sung-Woo, Chung, Brandon W., and Tobin, James G. Probing Actinide Electronic Structure through Pu Cluster Calculations. United States: N. p., 2013. Web. doi:10.1002/qua.24417.
Ryzhkov, Mickhail V., Mirmelstein, Alexei, Yu, Sung-Woo, Chung, Brandon W., & Tobin, James G. Probing Actinide Electronic Structure through Pu Cluster Calculations. United States. doi:10.1002/qua.24417.
Ryzhkov, Mickhail V., Mirmelstein, Alexei, Yu, Sung-Woo, Chung, Brandon W., and Tobin, James G. Tue . "Probing Actinide Electronic Structure through Pu Cluster Calculations". United States. doi:10.1002/qua.24417. https://www.osti.gov/servlets/purl/1237579.
@article{osti_1237579,
title = {Probing Actinide Electronic Structure through Pu Cluster Calculations},
author = {Ryzhkov, Mickhail V. and Mirmelstein, Alexei and Yu, Sung-Woo and Chung, Brandon W. and Tobin, James G.},
abstractNote = {The calculations for the electronic structure of clusters of plutonium have been performed, within the framework of the relativistic discrete-variational method. Moreover, 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.},
doi = {10.1002/qua.24417},
journal = {International Journal of Quantum Chemistry},
number = ,
volume = 113,
place = {United States},
year = {2013},
month = {2}
}

Journal Article:
Free Publicly Available Full Text
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Cited by: 3 works
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    Works referencing / citing this record:

    Observation of 5f intermediate coupling in uranium x-ray emission spectroscopy
    journal, January 2020


    Oxidation and crystal field effects in uranium
    journal, July 2015


    The Issue of Pu 5f Occupation
    journal, January 2018