This repository mirrors the principal Gitlab repository of the Chebyshev Accelerated Subspace iteration Eigensolver. If you want to contribute as developer to this project please contact e.di.napoli@fz-juelich.de.
Thomas Relativistic Electronic Structure Calculation
Hartree-Fock theory, basis sets and molecular integrals: ESQC 2026 chapter and lecture slides. Reusable for research and teaching; see licence and credits.
A Julia toolbox for coding self-consistent field algorithms
MQM2019 Poster
A general library for solving self-consistent field problems
Python adaptation of the FORTRAN program included in the book "Modern Quantum Chemistry"
Easy in maintenance software to study electronic structure of atomic systems via SCF process, including Hartree-Fock and Density Functional Theory.
Decimation of the Green function in graphene nanoribbons
A wannabe general-purpose Python library for computational physics
Dyson's equation solver for the Zen computation framework
A Python framework for the self-consistent solution of 1D Non-Equilibrium Green's Function (NEGF) and Poisson equations for nanowire (nano device) ballistic structures.
1D local spin density approximation (LSDA) density functional theory (DFT) implementation
PySFBox — Scheutjens–Fleer self-consistent-field lattice theory in pure Python/NumPy
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