A viable and accurate route to GW simulations of metals and doped semiconductors

In this work, we present an efficient and fully ab initio approach for the calculation of the screened Coulomb potential, specifically designed for two-dimensional (2D) and three-dimensional (3D) metals and suitable to evaluate G W corrections. While quasiparticle renormalization effects are typically negligible in bulk metals, 2D metals may exhibit semiconductor-like features, such as sizeable renormalization of quasiparticle energies induced by Coulomb interaction, which follow from the suppression of screening due to the reduced dimensionality. Although this effect can in principle be described by the G W method, apart from a few pioneering exceptions, such calculations have been hampered by sampling requirements exceeding feasibility. We demonstrate that the combination of interpolation and extrapolation schemes together with the accounting of dynamical effects is pivotal to the correct handling of the intraband polarizability in the long-wavelength limit. As an application, we report the gap renormalization of selected doped 2D semiconductors in excellent agreement with ARPES measurements.