configuration-interaction

The Ghent Quantum Chemistry Package for electronic structure calculations

Julia code for nuclear shell-model calculations

Hartree-Fock Python

CoSMo - Shell Model Code

Python module of Hartree-Fock and configuration interaction with visualization

The project dedicated to development of geometry optimization approach with combination of SQD solver and EWF method.

QMol-grid provides a MATLAB suite of routines for performing quantum-mechanical simulations in atomic and molecular systems.

Fast and simple way to electronic structure methods.

Property evaluation for general CI expansions

Configuration Interaction Program written in pure Rust.

Exponential Gaussian configuration lower bounds at fixed local energy accuracy, with an explicit two-body fermionic model, robustness to connected perturbations, and local certification.

C library with Fortran, Python, Julia and Ruby bindings for generating CSF-based Hamiltonian matrix element expressions for CI calculations