Projects in Awesome Lists tagged with basis-set
A curated list of projects in awesome lists tagged with basis-set .
https://github.com/rmeli/hartree-fock
Solution of Hartree-Fock equations within Pople's STO-3G basis set
basis-set computational-chemistry computational-physics hartree-fock quantum-chemistry quantum-mechanics
Last synced: 12 Feb 2026
https://github.com/frankwswang/quiqbox.jl
Exploring the computational power of fermionic quantum systems. Ab initio computation and basis set optimization for electronic structure problems.
automatic-differentiation basis-set computational-chemistry electronic-structure hartree-fock julia many-body-physics molecular-integrals molecule quantum quantum-chemistry
Last synced: 11 Mar 2026
https://github.com/lmmentel/chemtools
Python tools for quantum chemical calculations
basis-set chemistry computational-chemistry gamessus gaussian molecular-simulation molpro optimization python quantum-chemistry
Last synced: 11 Sep 2025
https://github.com/frankwswang/orbital-adapted-vqe-demo
Variational quantum eigensolver (VQE) with top-level basis set optimization for electronic structure.
basis-set electronic-structure quantum-chemistry vqe
Last synced: 24 Apr 2025
https://github.com/jishnub/vectorsphericalharmonics.jl
Vector Spherical Harmonics in Julia following the phase conventions of Varshalovich et al. (1988)
basis-set harmonics linear-algebra mathematics polynomials spherical-harmonics vector
Last synced: 06 Mar 2026
