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
A Julia toolbox for coding self-consistent field algorithms
A general library for solving self-consistent field problems
MQM2019 Poster
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.
A wannabe general-purpose Python library for computational physics
Decimation of the Green function in graphene nanoribbons
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.
Dyson's equation solver for the Zen computation framework
PySFBox — Scheutjens–Fleer self-consistent-field lattice theory in pure Python/NumPy
1D local spin density approximation (LSDA) density functional theory (DFT) implementation
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