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Jan Jensen edited section_Introduction_Semiempirical_electronic_structure__.tex
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\section{Introduction}
Semiempirical electronic structure methods are increasingly parameterized and benchmarked against data obtained by
calculations using DFT or wavefunction-based
methods calculations using rather than experimental data (PM6, PM6-DH+, DFTB3, Von Lillienfeld). Using calculated data has the advantage that it represents the precise value (usually the electronic energy) that is being parameterized, with little random noise with good coverage of chemical space, including molecules that are difficult to synthesize or perform measurements on. Carefully curated benchmark sets, such as GMTKN30 \cite{Goerigk_2011}, are therefore an invaluable resource to the scientific community and heavily used.
While there are
Accurate benchmarks great help in developing more accurate semi-empirical methods. Especially true for intermolecular interactions. There are fewer benchmark sets for barrier heights. Unlike intermolecular interaction benchmarks tend to be less representative of biologically relevant reactions. Here we xx