NWChem: Open Source High-Performance Computational Chemistry
QUICK: A GPU-enabled ab intio quantum chemistry software package
Fermi quantum chemistry program
Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)
do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
General Relativistic Atomic Structure Package
Some python workbooks with various topics from Computational Physics
A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaussian orbitals
Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
A lightweight ab initio molecular dynamics simulation program
Introduction to Quantum Mechanics for Chemists
Solution of Hartree-Fock equations within Pople's STO-3G basis set
🎉 Simple restricted Hartree-Fock code in Python
Exploring the computational power of fermionic quantum systems. Ab initio computation and basis set optimization for electronic structure problems.
An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimization
Restricted Hartree Fock in rust
Hartree Fock solver
QuAcK: a software for emerging quantum electronic structure methods
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