frankwswang / Quiqbox.jl Star 37 Code Issues Pull requests Exploring the computational complexity of fermionic quantum systems. Electronic-structure computation and basis-set modeling. quantum molecule quantum-chemistry hartree-fock electronic-structure basis-set many-body-physics molecular-integrals Updated Dec 1, 2025 Julia
ifilot / pyqint Star 36 Code Issues Pull requests An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimization computational-chemistry quantum-chemistry hartree-fock electronic-structure molecular-orbital-theory electronic-structure-calculations molecular-integrals molecular-orbital gaussian-type-orbitals Updated Nov 23, 2025 Python
dzik143 / hfr-cpp Star 1 Code Issues Pull requests [ARCHIVE/2009] Hartree-Fock-Roothan (C++) cplusplus quantum-chemistry gto hartree-fock lcao gaussian-orbitals contracted-gto molecular-integrals Updated Oct 26, 2020 C++
dzik143 / hfr-f77 Star 1 Code Issues Pull requests [ARCHIVE/2008] Hartree-Fock-Roothan method (F77) public-domain quantum-chemistry quantum-chemistry-programs gto hartree-fock fortran77 lcao gaussian-orbitals molecular-integrals Updated Oct 26, 2020 Fortran