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Scaling relations, virial theorem and energy densities for long-range and short-range density functionals

Julien Toulouse·Paola Gori-Giorgi·Andreas Savin
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Abstract

We analyze a decomposition of the Coulomb electron-electron interaction into a long-range and a short-range part in the framework of density functional theory, deriving some scaling relations and the corresponding virial theorem. We study the behavior of the local density approximation in the high-density limit for the long-range and the short-range functionals by carrying out a detailed analysis of the correlation energy of a uniform electron gas interacting via a long-range only electron-electron repulsion. Possible definitions of exchange and correlation energy densities are discussed and clarified with some examples.

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Julien Toulouse, Paola Gori-Giorgi, Andreas Savin. 2006-05-02. Scaling relations, virial theorem and energy densities for long-range and short-range density functionals. https://doi.org/10.1002/qua.20813

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