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Bibliographic Details
Main Authors:	Iskakov, Sergei, Yeh, Chia-Nan, Pokhilko, Pavel, Yu, Yang, Zhang, Lei, Harsha, Gaurav, Abraham, Vibin, Wen, Ming, Wang, Munkhorgil, Adamski, Jacob, Chen, Tianran, Gull, Emanuel, Zgid, Dominika
Format:	Preprint
Published:	2024
Subjects:	Materials Science
Online Access:	https://arxiv.org/abs/2406.18479
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Table of Contents:

The accurate ab initio simulation of molecules and periodic solids with diagrammatic perturbation theory is an important task in quantum chemistry, condensed matter physics, and materials science. In this article, we present the WeakCoupling module of the open-source software package Green, which implements fully self-consistent diagrammatic weak coupling simulations, capable of dealing with real materials in the finite-temperature formalism. The code is licensed under the permissive MIT license. We provide self-consistent GW (scGW) and self-consistent second-order Green's function perturbation theory (GF2) solvers, analysis tools, and post-processing methods. This paper summarizes the theoretical methods implemented and provides background, tutorials and practical instructions for running simulations.

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