GFN2-xTB—An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions

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https://pubs.acs.org/doi/10.1021/acs.jctc.8b01176 https://xtb-docs.readthedocs.io/en/latest/index.html