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Advantageous nearsightedness of many-body perturbation theory contrasted with Kohn-Sham density functional theory.

License: MIT License

Python 1.74% Jupyter Notebook 98.26%

advantageous-nearsightedness's Introduction

Advantageous Nearsightedness

This repository allows you to reproduce the results of, and interact with the paper: Advantageous nearsightedness of many-body perturbation theory contrasted with Kohn-Sham density functional theory.

Requirements

iDEA-latest
numpy
matplotlib

Installation

pip install -r requirements.txt

Usage

cd notebooks

jupyter lab

Directory structure

|-- README                         <- Project README
|-- requirements.txt               <- Project dependencies
|-- data                           <- Project data
|   |-- raw                        <- Raw data
|   |-- input                      <- Input data
|   |-- output                     <- Output data
|-- notebooks                      <- Jupyter notebooks
|-- advantageous_nearsightedness   <- Source files

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