Spin-symmetry broken ground-state of UO2 in DFT+U approach: the SMC method
It turns out that the ground states of some systems are symmetry-broken states in which some property is not symmetrically distributed. In the case of strongly correlated electron systems that were studied by the DFT+U method, researchers have shown that the total energy of the system is a multi-min...
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| Format: | Article |
| Language: | English |
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Isfahan University of Technology
2022-11-01
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| Series: | Iranian Journal of Physics Research |
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| Online Access: | https://ijpr.iut.ac.ir/article_3302_a3c14ba5f4afa5fd987b43589cba0170.pdf |