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Workshop › Many body response functions in the Questaal code
A hands-on course highlighting Questaal's GW/DMFT/BSE capability Read More›

news › Ladder Diagrams in QSGW
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 › Questaal Hands-On Course
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›

Examples › Quasiparticle Self-Consistent GW
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›

Examples › Dynamical Mean Field Theory
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›

Examples › Principal Layer Green’s Functions
Many spintronic devices to emerge in recent years consist of spin transport through alternating, nanosized metallic layers Read More›

Examples › Green’s Functions LMTO
A new concept for very fast electronic devices has emerged in recent years. Called JMRAM, it relies on the rotation of the phase of a Cooper pair wave function when it passes through a thin magnetic layer. Read More›