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)
General Relativistic Atomic Structure Package
do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
Some python workbooks with various topics from Computational Physics
An efficient and fully parallelized pure python DFT and electronic structure code with GPU acceleration through just-in-time compilation
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
Introduction to Quantum Mechanics for Chemists
An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimization
A lightweight ab initio molecular dynamics simulation program
Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
A quantum chemisty library in jax.
Solution of Hartree-Fock equations within Pople's STO-3G basis set
Exploring the computational complexity of fermionic quantum systems. Electronic-structure computation and basis-set modeling.
🎉 Simple restricted Hartree-Fock code in Python
QuAcK: a software for emerging quantum electronic structure methods
Add a description, image, and links to the hartree-fock topic page so that developers can more easily learn about it.
To associate your repository with the hartree-fock topic, visit your repo's landing page and select "manage topics."