ترغب بنشر مسار تعليمي؟ اضغط هنا

We present a novel scheme for an unbiased and non-perturbative treatment of strongly correlated fermions. The proposed approach combines two of the most successful many-body methods, i.e., the dynamical mean field theory (DMFT) and the functional ren ormalization group (fRG). Physically, this allows for a systematic inclusion of non-local correlations via the flow equations of the fRG, after the local correlations are taken into account non-perturbatively by the DMFT. To demonstrate the feasibility of the approach, we present numerical results for the two-dimensional Hubbard model at half-filling.
We have implemented the $GW$+dynamical mean field theory (DMFT) approach in the Vienna ab initio simulation package. Employing the interaction values obtained from the locally unscreened random phase approximation (RPA), we compare $GW$+DMFT and LDA+ DMFT against each other and against experiment for SrVO$_3$. We observed a partial compensation of stronger electronic correlations due to the reduced $GW$ bandwidth and weaker correlations due to a larger screening of the RPA interaction, so that the obtained spectra are quite similar and well agree with experiment. Noteworthily, the $GW$+DMFT better reproduces the position of the lower Hubbard side band.
mircosoft-partner

هل ترغب بارسال اشعارات عن اخر التحديثات في شمرا-اكاديميا