tddft topic

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

molgw

Real-time TDDFT for Quantum-Espresso

dceresoli

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...

LLNL