excited-states topic

Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.

eljost

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

grimme-lab

GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in complex molecular systems

votca

sTDA-xTB Hamiltonian for ground state

grimme-lab

The source of the votca-csg and xtp packages

votca