/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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