psi4
Open-Source Quantum Chemistry - an electronic structure package in C++ driven by Python
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Summary
Open-Source Quantum Chemistry - an electronic structure package in C++ driven by Python
Last Updated
Mar 28, 2026 at 22:28
License
LGPL-3.0-only AND BSD-3-Clause AND MIT
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Home
http://psicode.orgGitHub Repository
https://github.com/psi4/psi4Documentation
http://psicode.org/psi4manual/master/index.html