Effective spin-orbit models using correlated first-principles wave functions
Diffusion Monte Carlo using continuous real-space wave functions is one of the most accurate scalable many-body methods for solid-state systems. However, to date, spin-orbit interactions have not been incorporated into large-scale calculations at a first-principles level, only having been applied to...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2020-02-01
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| Series: | Physical Review Research |
| Online Access: | http://doi.org/10.1103/PhysRevResearch.2.013195 |