Spin-dependent interactions in orbital-density-dependent functionals: Noncollinear Koopmans spectral functionals
The presence of spin-orbit coupling or noncollinear magnetic spin states can have dramatic effects on the ground-state and spectral properties of materials, in particular on the band structure. Here, we develop noncollinear Koopmans-compliant functionals based on Wannier functions and density-functi...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2024-07-01
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| Series: | Physical Review Research |
| Online Access: | http://doi.org/10.1103/PhysRevResearch.6.033085 |