Implementation of a dynamical cluster approximation within an augmented plane-wave framework

Even though the local density approximation in combination with dynamical mean field theory (LDA+DMFT) accounts for various and interesting physics such as Mott insulator and enhancement of effective mass for real compounds, the pseudo-gap and spin density wave behaviors are missed due to the absence of spatial correlations. In order to consider the short-range spatial correlations beyond the LDA+DMFT approach for real compounds, we introduce a combination of LDA with a dynamical cluster approximation (LDA+DCA) in the framework of the full-potential linear augmented plane-wave basis and show results for SrVO3. We discuss how to implement the LDA+DCA approach in the WIEN2k density functional theory code and analyze the momentum spectral properties on SrVO3 as a result. We compare our LDA+DCA results with LDA+DMFT as well as with angle-resolved photoemission spectra (ARPES). We find that LDA+DCA results compare better with ARPES than the LDA+DMFT results due to inclusion of spatial correlations.