Relativistic short-range exchange energy functionals beyond the local-density approximation

Short-range exchange and correlation energy density functionals: beyond the local-density approximation.

We propose approximations which go beyond the local-density approximation for the short-range exchange and correlation density functionals appearing in a multideterminantal extension of the Kohn-Sham scheme. A first approximation consists of defining locally the range of the interaction in the correlation functional. Another approximation, more conventional, is based on a gradient expansion of ...

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

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Beyond the random phase approximation Improved description of short-range correlation by a renormalized adiabatic local density approximation

Combining long-range configuration interaction with short-range density functionals

A density functional for short-range electron–electron interaction recently developed by one of us, has been implemented into a multi-reference configuration-interaction code with explicit treatment of long-range interaction only. Possible Ž . Ž advantages of such an approach are discussed, using as examples some closed-shell atoms Be, Ne and diatomics H , Li , 2 2 . C , N , F . q 1997 Publishe...

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

HAL is a multi-disciplinary open access archive for the deposit and dissemination of scientific research documents, whether they are published or not. The documents may come from teaching and research institutions in France or abroad, or from public or private research centers. L’archive ouverte pluridisciplinaire HAL, est destinée au dépôt et à la diffusion de documents scientifiques de niveau...