1306.2732 (Thomas Olsen et al.)

Beyond the random phase approximation: Improved description of short
range correlation by a renormalized adiabatic local density approximation    [PDF]

Thomas Olsen, Kristian S. Thygesen

We assess the performance of a recently proposed renormalized adiabatic local density approximation for \textit{ab initio} calculations of electronic correlation energies in solids and molecules. The method is an extension of the random phase approximation (RPA) derived from time-dependent density functional theory and the adiabatic connection fluctuation-dissipation theorem and contains no fitted parameters. The new functional is shown to preserve the good quality of dispersive interactions from RPA and significantly improves the description of short range correlation in molecules and solids, which is badly represented in RPA. We also discuss straightforward generalizations of the method, which might improve results even further.

View original: http://arxiv.org/abs/1306.2732