most citedThe Python Simulations of Chemistry Framework: 10 years of an open-source quantum chemistry project

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physics.chem-ph2026★ 4 cited

The Python Simulations of Chemistry Framework: 10 years of an open-source quantum chemistry project

Qiming Sun, Matthew R Hermes, Xiaojie Wu +100

Over the past decade, the Python-based Simulations of Chemistry Framework (PySCF) has developed into a widely used open-source platform for electronic structure theory and quantum…