Spin-Orbit Coupling in the ab initio Pseudopotential Framework

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dc.creatorTheurich, G.
dc.creatorHill, N. A.
dc.date2000-10-17
dc.date.accessioned2026-07-07T02:39:00Z
dc.date.available2026-07-07T02:39:00Z
dc.descriptionWe describe the implementation of total angular momentum dependent pseudopotentials in a plane wave formulation of density functional theory. Our approach thus goes beyond the scalar-relativistic approximation usually made in ab initio pseudopotential calculations and explicitly includes spin-orbit coupling. We outline the necessary extensions and compare the results to available all-electron calculations and experimental data.
dc.description4 pages, 1 figure, 3 tables
dc.identifierhttps://arxiv.org/abs/cond-mat/0010225
dc.identifierhttp://arxiv.org/abs/cond-mat/0010225
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/16894
dc.subjectCondensed Matter
dc.titleSpin-Orbit Coupling in the ab initio Pseudopotential Framework
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