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Top 3 excited-states open source projects

The source of the votca-csg and xtp packages

✭ 28

C++JetBrains MPS Objective-C++shell CMake python molecular-dynamics coarse-grained-molecular-dynamics gromacs multiscale-simulation coarse-graining votca gw-bse excited-states charge-transport

xtp

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

✭ 26

computational-chemistry computational-physics quantum-chemistry multiscale-simulation gw-bse quantum-classical excited-states

stda

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

✭ 23

fortran computational-chemistry quantum-chemistry excited-states td-dft spin-flip nonlinear-response

1-3 of 3 excited-states projects