Journal article ยท Preprint article
Comparison of exact-exchange calculations for solids in current-spin-density- and spin-density-functional theory
The relative merits of current-spin-density- and spin-density-functional theory are investigated for solids treated within the exact-exchange-only approximation. Spin-orbit splittings and orbital magnetic moments are determined at zero external magnetic field. We find that for magnetic (Fe, Co, and Ni) and nonmagnetic (Si and Ge) solids, the exact-exchange current-spin-density functional approach does not significantly improve the accuracy of the corresponding spin-density functional results.
Language: | English |
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Year: | 2007 |
Pages: | 4 |
ISSN: | 1550235x , 10980121 and 01631829 |
Types: | Journal article and Preprint article |
DOI: | 10.1103/PhysRevB.76.100401 |