1.2

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 Configuration Interaction Module
13. The Restricted Coupled Cluster Module
14. The Restricted Equation of Motion Coupled Cluster Module
15. The Restricted Ionization Potential Coupled Cluster Module
16. Post-processing

References

1. Acronyms
2. Literature

PyBEST

4. Contact Information
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4. Contact Information

If you have questions, please send them to our developer e-mail address pybest@umk.pl

Alternatively, you may directly contact the authors of a specific part of PyBEST.

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