The GW approximation in electronic structure theory has become a widespread tool for
predicting electronic excitations in chemical compounds and materials. In the realm of …

Quantum technology has grown out of quantum information theory and now provides a
valuable tool that researchers from numerous fields can add to their toolbox of research …

The GW approximation has recently gained increasing attention as a viable method for the
computation of deep core-level binding energies as measured by X-ray photoelectron …

We present an implementation of G 0 W 0 calculations including spin–orbit coupling (SOC)
enabling investigations of large systems, with thousands of electrons, and we discuss results …

We present an accurate approach to compute X-ray photoelectron spectra based on the GW
Green's function method that overcomes the shortcomings of common density functional …

For the recent GW 100 test set of molecular ionization energies, we present a
comprehensive assessment of different GW methodologies: fully self-consistent GW (sc GW) …

The introduction of GW approximation to the electron's self‐energy by Hedin in the 1960s,
where G and W denote the one‐particle Green's function and the screened Coulomb …

A quantitative description of the excited electronic states of point defects and impurities is
crucial for understanding materials properties, and possible applications of defects in …

Missing atoms or atom substitutions (point defects) in crystal lattices in two-dimensional (2D)
materials are potential hosts for emerging quantum technologies, such as single-photon …

First-principles calculations for electrochemistry require accurate treatment of both electronic
structure and solvation. The perturbative GW approximation starting from density functional …