Ground and Metastable States in $γ$-Ce from Correlated Band Theory

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dc.creatorShick, A. B.
dc.creatorPickett, W. E.
dc.creatorLiechtenstein, A. I.
dc.date2000-01-19
dc.date.accessioned2026-07-07T02:36:35Z
dc.date.available2026-07-07T02:36:35Z
dc.descriptionMultiple energy minima of the LDA+U energy functional are obtained for $γ$-Ce when it is implemented in a full potential, rotationally invariant scheme including spin-orbit coupling, and different starting local configurations are chosen. The lowest energy solution leads to a fully spin polarized 4f state and the lattice constant of $γ$-Ce. The higher energy local minima (additional self-consistent solutions) are shown to be strongly indicative of crystal electric field and multiplet excitations.
dc.identifierhttps://arxiv.org/abs/cond-mat/0001255
dc.identifierhttp://arxiv.org/abs/cond-mat/0001255
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/15973
dc.subjectStrongly Correlated Electrons
dc.titleGround and Metastable States in $γ$-Ce from Correlated Band Theory
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