/tools/Gaussium
Gaussium
ChiCheng45/Gaussium
69 stars22 forksPythonAdded February 4, 2026
summary
Gaussium is a quantum chemistry program written in Python that implements several electronic structure methods, including DFT and CCSD. It allows users to perform calculations on molecular systems, making it a valuable tool for computational chemistry.
description
A Quantum Chemistry program written in Python 3 supporting RHF, UHF, TDHF, CIS, MP2, DFT, CCSD and CCSD(T) methods.
topics
chemistryquantum-chemistryelectronic-structurecomputational-chemistry
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