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workshop · lmf · qsgw – Workshop

Many body response functions in the Questaal code

Questaal News A hands-on course highlighting Questaal's GW/DMFT/BSE capability Read More›

article · qsgw · bse · ladder – news

Ladder Diagrams in QSGW

Questaal News Recently, Brian Cunningham and Myrta Gruening incorporated ladder diagrams as an extension to the RPA polarizability. Ladder diagrams significantly improve agreement with experimental dielectric response functions. The QSGW framework makes it possible to address systems whose electronic structure is poorly described within the standard perturbative GW approaches with as a starting point density-functional theory calculations. The Figure shows the real and imaginary parts of the dielectric function for Ge. Read More›

workshop · lmf · qsgw – Workshop

Questaal Hands-On Course

Questaal News For those of you interested in getting some hands-on experience with the Questaal code, STFC Daresbury Laboratory in the UK will be hosting a tutorial course May 16-19, 2017. The full call is listed below. This workshop will be run by Mark van Schilfgaarde (main Questaal package developer), Leon Petit, Martin Lueders, and Myrta Gruening. A primary focus of the hands-on workshop will be on quasi-particle self-consistent GW (QSGW) theory and its applications. Read More›

papers · QSGW – Examples

Quasiparticle Self-Consistent GW

Questaal News Metal-organic perovskite solar cells, CH3NH3PbI3 (MAPI) in particular, have attracted much attention recently because of their high power conversion efficiency and potential low cost. Read More›

papers · DMFT – Examples

Dynamical Mean Field Theory

Questaal News Density-Functional theory, while being immensely popular thanks to its simplicity, nevertheless is limited in its reliability. The QuasiParticle Self-Consistent GW approximation, while more demanding than DFT, is vastly more reliable than DFT, or GW theory based on DFT, for calculation of optical properties in weakly correlated systems. Read More›