Local-density approximation: Difference between revisions

Revision as of 08:52, 19 November 2022

Revision as of 11:52, 8 March 2023

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{{distinguish|linear discriminant analysis}}

'''Local-density approximations''' ('''LDA''') are a class of approximations to the [[Exchange interaction|exchange]]–[[Electron correlation|correlation]] (XC) energy [[Functional (mathematics)|functional]] in [[density functional theory]] (DFT) that depend solely upon the value of the [[electronic density]] at each point in space (and not, for example, derivatives of the density or the [[Kohn–Sham equations|Kohn–Sham orbitals]]). Many approaches can yield local approximations to the XC energy. However, overwhelmingly successful local approximations are those that have been derived from the [[homogeneous electron gas]] (HEG) model. In this regard, LDA is generally synonymous with functionals based on the HEG approximation, which are then applied to realistic systems (molecules and solids).