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- W4387394971 abstract "Abstract This work presents the results of a theoretical study of the electronic structure of two actinide metals, α-U and δ-Pu. We compare our ab-initio results obtained with the recently developed self-consistent Vertex corrected GW approach with previously published experimental measurements such as Photo-Electron Spectroscopy, for the occupied density of states, and Bremsstrahlung Isochromat Spectroscopy and Inverse Photo-Electron Spectroscopy, for the unoccupied density of states. Our ab-initio approach includes all important relativistic effects (it is based on Dirac’s equation) and it represents the first application of the Vertex corrected GW approach in the physics of actinides. Overall, our theoretical results are in good agreement with the experimental data, which supports the level of approximations which our theoretical method is based upon. By comparing our vertex corrected GW results with our results obtained with less sophisticated approaches (LDA and self consistent GW), we differentiate the strength of correlation effects in Uranium and Plutonium. Also, our theoretical results allow us to elucidate the subtle differences between the previously published experimental Bremsstrahlung Isochromat Spectroscopy and Inverse Photo-Electron Spectroscopy data on the unoccupied density of states in α-U." @default.
- W4387394971 created "2023-10-07" @default.
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- W4387394971 date "2023-10-06" @default.
- W4387394971 modified "2023-10-08" @default.
- W4387394971 title "New insights into the electronic structure of alpha-U and delta-Pu" @default.
- W4387394971 doi "https://doi.org/10.1088/1361-648x/ad00f6" @default.
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- W4387394971 hasPublicationYear "2023" @default.
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