Assessing Relativistic Effects and Electron Correlation in the Actinide Metals Th to Pu
Density functional theory (DFT) calculations are employed to explore and assess the effects of the relativistic spin−orbit interaction and electron correlations in the actinide elements. Specifically, we address electron correlations in terms of an intra-atomic Coulomb interaction with a H...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2019-11-01
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| Series: | Applied Sciences |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2076-3417/9/23/5020 |