Dresden 2020 – wissenschaftliches Programm

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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 Ferretti21Theory 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.

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