Spectral properties of the interacting homogeneous electron gas from algorithmic inversion
ORAL
Abstract
Despite its simplicity, the interacting homogeneous electron gas is a paradigmatic test case in the study of the electronic structure of condensed matter. Beside being a model for valence electrons in simple metals, it also provides the fundamental ingredients for
density-functional approximations. Here, we study it with many-body perturbation theory at different GW levels (one shot, partially self-consistent, and fully self-consistent). In order to do so, we introduce a novel numerical implementation of many-body perturbation theory that targets the full-frequency dependence of the Green's function and self-energy. We present results for a broad range of densities, with a special focus on the total energy, the density of states, and the spectral potential.
density-functional approximations. Here, we study it with many-body perturbation theory at different GW levels (one shot, partially self-consistent, and fully self-consistent). In order to do so, we introduce a novel numerical implementation of many-body perturbation theory that targets the full-frequency dependence of the Green's function and self-energy. We present results for a broad range of densities, with a special focus on the total energy, the density of states, and the spectral potential.
*We gratefully acknowledge financial support from the Swiss National Science Foundation (SNSF -- project number 200021_179138)
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Presenters
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Tommaso Chiarotti
- Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), Ecole Polytechnique Federale de Lausanne