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https://github.com/matthewcarbone/ggce

Numerically exact Green's functions for lattice polaron models, easily and efficiently
https://github.com/matthewcarbone/ggce

greens-functions polarons quantum-mechanics spectroscopy

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Numerically exact Green's functions for lattice polaron models, easily and efficiently

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README 

        



# The Generalized Green's function Cluster Expansion



[![image](https://joss.theoj.org/papers/688705844ea344353b86815d8345f8d5/status.svg)](https://joss.theoj.org/papers/688705844ea344353b86815d8345f8d5)

[![image](https://github.com/matthewcarbone/GGCE/actions/workflows/ci.yml/badge.svg)](https://github.com/matthewcarbone/GGCE/actions/workflows/ci.yml)

[![image](https://github.com/matthewcarbone/GGCE/actions/workflows/ci_petsc.yml/badge.svg)](https://github.com/matthewcarbone/GGCE/actions/workflows/ci_petsc.yml)

[![codecov](https://codecov.io/gh/matthewcarbone/GGCE/branch/master/graph/badge.svg?token=6Q7EUWBW6O)](https://codecov.io/gh/matthewcarbone/GGCE)

[![image](https://app.codacy.com/project/badge/Grade/bdb53153835a49fa8921b28a519b2ead)](https://www.codacy.com/gh/matthewcarbone/GGCE/dashboard?utm_source=github.com&utm_medium=referral&utm_content=matthewcarbone/GGCE&utm_campaign=Badge_Grade) 


[![python](https://img.shields.io/badge/-Python_3.7+-blue?logo=python&logoColor=white)](https://github.com/pre-commit/pre-commit)

[![black](https://img.shields.io/badge/Code%20Style-Black-black.svg?labelColor=gray)](https://black.readthedocs.io/en/stable/)



**Numerically exact Green's functions for lattice polaron models, easily and efficiently**



_If you use this work, please cite us!_ 


[GGCE Software (JOSS)](https://doi.org/10.21105/joss.05115) | [Original Paper (PRB)](https://doi.org/10.1103/PhysRevB.104.035106) | [Bond-Peierls Paper (PRB)](https://doi.org/10.1103/PhysRevB.104.L140307)





   

## 💾 Installation



Just use `pip`!



```bash

conda create -n py3.9-ggce python=3.9 -y

conda activate py3.9-ggce

pip install ggce

```



We provide detailed information on _advanced_ installation at our [documentation](https://matthewcarbone.github.io/GGCE/installation.html).



## 🚀 Quickstart



Get started in a few lines of code right [here](https://matthewcarbone.github.io/GGCE/tutorials/introduction.html)!



Or, checkout our intro tutorial: [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/matthewcarbone/GGCE/blob/master/notebooks/GGCE_Tutorial.ipynb)



## ⚠️ Known issues



Currently, PETSc is not building properly (we believe this is a problem with the `petsc4py` wheel or something like this).

If you would like to help contribute to this bugfix, please see this [PR](https://github.com/matthewcarbone/GGCE/pull/76)!



## 🙏 Acknowledgements



This software is based upon work supported by the U.S. Department of

Energy, Office of Science, Office of Advanced Scientific Computing

Research, Department of Energy Computational Science Graduate Fellowship

under Award Number DE-FG02-97ER25308. This work also used theory and

computational resources of the Center for Functional Nanomaterials,

which is a U.S. Department of Energy Office of Science User Facility,

and the Scientific Data and Computing Center, a component of the

Computational Science Initiative, at Brookhaven National Laboratory

under Contract No. DE-SC0012704. We also acknowledge support from the

Natural Sciences and Engineering Research Council of Canada (NSERC) and

the Stewart Blusson Quantum Matter Institute (SBQMI).