Preprint
Oct 2026
PyCC: A Reference Quantum Chemistry Python Package for Education, Validation, and Rapid Prototyping
PyCC is a Python-based quantum chemistry package that emphasizes coupled cluster and related methods. Developed over the last five years, PyCC's purpose is to provide a clear reference implementation that will serve as a validation suite for production code, a platform for rapid prototyping and testing of new methods,...
T. D. Crawford, Benjamin G. Peyton, Zhe Wang et al.
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