Short-range exchange and correlation energy density 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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Properties of short-range and long-range correlation energy density functionals from electron-electron coalescence

The combination of density-functional theory with other approaches to the many-electron problem through the separation of the electron-electron interaction into a short-range and a long-range contribution is a promising method, which is raising more and more interest in recent years. In this work some properties of the corresponding correlation energy functionals are derived by studying the ele...

Introduction to Density Functional Theory and Exchange-Correlation Energy Functionals

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