1.0

1. PyBEST Overview
2. Citing PyBEST
3. License Information
4. Contact Information

User documentation

1. Download and Installation
2. Defining Basis Sets, Molecular Geometries, and Hamiltonians
3. Orbitals and Orbital Occupations
4. PyBEST objects: the LinalgFactory
5. Input/Output Operations: the IOData Container
6. The Self-Consistent Field Module
7. General Remarks concerning Post-Hartree-Fock Calculations
8. The Moller-Plesset Perturbation Theory module
9. The Symmetry Adapted Perturbation Theory module
10. The pCCD module
11. The perturbation theory module
12. The Restricted Coupled Cluster Module
13. The Restricted Equation of Motion Coupled Cluster Module
14. Post-processing

References

1. Acronyms
2. Literature

PyBEST

Docs »
2. Citing PyBEST
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2. Citing PyBEST¶

Please, refer to PyBEST as follows:

Filip Brzek, Aleksandra Leszczyk, Artur Nowak, Katharina Boguslawski, Dariusz Kedziera, Pawel Tecmer, Piotr Zuchowski, PyBEST 1.0.2, 2021

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