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

Hartree-Fock C++ code

C++ and Python library for Polarizable Embedding

Canonical (Kohn-Sham) molecular orbital calculation software for large molecules such as protein

Utility for the perturbation of molecular orbitals delivered by standard quantum chemical packages

A complete Hartree-Fock framework employing Gaussian basis functions written from scratch in C++.

Massively parallel electronic structure code for experimentation

[ARCHIVE/2009] Hartree-Fock-Roothan (C++)

Hartree Fock corrections to nearly free electron Bloch bands

Grid-based stochastic electronic structure methods

Lightweight (restricted) Hartree-Fock program for calculating wavefunction values

Very simple, test Hartree Fock program

Hartree fock method implementation

Computational Physics exam @ Unitn. The repository contains a C++ code for the quantum molecular dynamics of the hydrogen molecule. The code can be found in the folder CODE, while a discussion of the outputs and the algorithms employed can be found in the REPORT folder.

C++ Computational Chemistry software designed mainly as a learning tool.

A project to study Hartree-Fock technique in 1-D