Bulletin of the American Physical Society
APS March Meeting 2021
Volume 66, Number 1
Monday–Friday, March 15–19, 2021; Virtual; Time Zone: Central Daylight Time, USA
Session V21: Precision Many-Body Physics VI: Real Materials
3:00 PM–6:00 PM,
Thursday, March 18, 2021
Sponsoring
Units:
DCOMP DCMP DAMOP
Chair: Olga Goulko, University of Massachusetts Boston
Abstract: V21.00010 : Spectral properties of the interacting homogeneous electron gas from algorithmic inversion*
5:12 PM–5:24 PM
Live
Presenter:
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)
Authors:
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)
Nicola Marzari
(Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), Ecole Polytechnique Federale de Lausanne)
Andrea Ferretti
(Centro S3, CNR–Istituto Nanoscienze)
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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