PyGFN is a Python package that provides a user-friendly interface for computing Green's functions using various quantum chemistry methods.
It is built on top of the pyscf package and aims to simplify the process of obtaining Green's functions for different quantum systems.
- Compute Green's functions for quantum chemistry methods including HF, FCI, and CCSD.
- Abstracts the complexity of quantum chemistry computations, providing an intuitive API.
- Detailed documentation and usage examples for each supported method.
- Supports different input formats for molecules and customizable output formats.
Contributions are welcome! If you have any improvements, bug fixes, or new features to propose, please open an issue or submit a pull request.
This project is licensed under the MIT License - see the LICENSE file for details.