gw-bse

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votca / votca

The source of the votca-csg and xtp packages

molecular-dynamics coarse-grained-molecular-dynamics gromacs multiscale-simulation coarse-graining votca gw-bse excited-states charge-transport

Updated Oct 3, 2025
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votca / xtp

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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

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

Updated Sep 28, 2021

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