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Journal Articles Journal of Molecular Structure: THEOCHEM Year : 2006

Local density approximation for long-range or for short-range energy functionals?

Abstract

Density functional methods were developed, in which the Coulomb electron-electron interaction is split into a long- and a short-range part. In such methods, one term is calculated using traditional density functional approximations, like the local density approximation. The present paper tries to shed some light upon the best way to do it by comparing the accuracy of the local density approximation with accurate results for the He atom.
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Dates and versions

hal-00981823 , version 1 (22-04-2014)

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Julien Toulouse, Andreas Savin. Local density approximation for long-range or for short-range energy functionals?. Journal of Molecular Structure: THEOCHEM, 2006, 762, pp.147. ⟨10.1016/j.theochem.2005.10.014⟩. ⟨hal-00981823⟩
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