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Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters

Qball (also known as qb@ll) is a first-principles molecular dynamics code that is used to compute the electronic structure of atoms, molecules, solids, and liquids within the Density Functional Theory (DFT) formalism. It is a fork of the Qbox code by Francois Gygi.

stda program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, and SF-sTD-DFT)

Ce Tddft ⭐ 18

Real-time TDDFT for Quantum-Espresso

Plots absorption spectra from from ORCA output files

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