Modified radial LAPW basis functions and adjusted spin-orbit constants alter structural predictions for Ac, Th, ThO2 and UO2 and open a small gap at the Fermi level in UO2.
[25] the method was extended to include other local relativistic functions and their combinations
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Alternative treatment of relativistic effects in linear augmented plane wave (LAPW) method: application to Ac, Th, ThO2 and UO2
Modified radial LAPW basis functions and adjusted spin-orbit constants alter structural predictions for Ac, Th, ThO2 and UO2 and open a small gap at the Fermi level in UO2.