Electronic and mechanical properties of ordered (Pu, U) O2 compounds: A density functional theory +U study
Author:
Publisher
Elsevier BV
Subject
Nuclear Energy and Engineering,General Materials Science,Nuclear and High Energy Physics
Reference66 articles.
1. Correlated electrons in δ-plutonium within a dynamical mean-field picture
2. An expanding view of plutonium
3. The magic of plutonium: 5f electrons and phase instability
4. Oxidation and aging in U and Pu probed by spin-orbit sum rule analysis: Indications for covalent metal-oxide bonds
5. Assessment of metageneralized gradient approximation and screened Coulomb hybrid density functionals on bulk actinide oxides
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1. Large-scale density functional theory simulations of defects and hydrogen incorporation in PuO2;Physical Review B;2024-06-03
2. Structural, electronic, mechanical, and thermodynamic properties of UPt3: A first-principles investigation;Materials Today Communications;2024-03
3. Mixed 5f configuration in americium trichloride: Dynamical mean‐field theory combined with density functional theory study;International Journal of Quantum Chemistry;2023-08-14
4. Valence Fluctuation of Uranium Ions in Uranium Sesquinitride Revealed by Dynamical Mean‐field Theory Merged with Density Functional Theory;ChemPhysChem;2023-07-27
5. Insight into the interfacial interactions of CO2 with PuH2 (100), (110), and (111) surfaces from first-principles calculations;Vacuum;2023-06
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