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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 26: Frontiers in Electronic-Structure Theory - Focus on Electron-Phonon Interactions II (joint session O/CPP/DS/HL)
CPP 26.7: Vortrag
Montag, 16. März 2020, 16:30–16:45, GER 38
Spectral properties of the interacting homogeneous electron gas — •Tommaso Chiarotti1, Nicola Marzari1, and Andrea Ferretti2 — 1Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland — 2Centro S3, CNR–Istituto Nanoscienze, 41125 Modena, Italy
Despite its simplicity, the interacting homogeneous electron gas (HEG) 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 basic ingredients for key electronic-structure theories. Here, we propose to study it with many-body perturbation theory (MBPT) using one shot, partial self-consistent, and full self-consistent GW, and analyze the description of its spectral function. For this, a novel numerical implementation of MBPT for the 3D non-relativistic HEG has been developed, with a special focus on the treatment of the full-frequency dependence of the Green’s function and self-energies. Results for a broad range of densities (going from rs from 1 to 10) are presented with particular attention to the calculated density-of-states and the spectral potential.