A remark on the local density approximation with the gradient corrections and the X$_α$ method

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dc.creatorXie, Y. -B.
dc.creatorWang, B. -H.
dc.creatorWang, W. -X.
dc.date2006-12-01
dc.date.accessioned2026-07-07T07:34:57Z
dc.date.available2026-07-07T07:34:57Z
dc.descriptionWe report that the solids with narrow valence bands cannot be described by the local density approximation with the gradient corrections in the density functional theory as well as the X$_α$ method. In particular, in the case of completely filled valence bands, the work function is significantly underestimated by these methods for such types of solids. Also, we figured out that these deficiencies cannot be cured by the self-interaction-corrected-local-density-approximation method.
dc.description6 pages, 0 figures
dc.identifierhttps://arxiv.org/abs/physics/0612008
dc.identifierhttp://arxiv.org/abs/physics/0612008
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/119946
dc.subjectAtomic Physics
dc.titleA remark on the local density approximation with the gradient corrections and the X$_α$ method
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