Special Issue Current Trends in Electronic Structure: Real-space, Embedding and Linear Scaling Techniques

This Special Issue of physica status solidi (b) is devoted to the topic of first-principles simulation of solids, liquids and complex matter and presents articles on the progress in linear scaling methods, electronic transport, simulation of STM images, and time-dependent DFT methods. The cover picture is taken from the paper by Torsti et al. and shows an isosurface of the positron density localized at a Ga vacancy in GaN [1]. The positron state is calculated by the real-space code Mika/doppler based on the Rayleigh-quotient multigrid method. The code predicts positron lifetimes and momentum densities of annihilating electron-positron pairs measured in positron annihilation spectroscopy for defects in solids.