Browsing by Author "Hallmen, Philipp P."
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Item Open Access Improving the speed and accuracy of ab initio calculations of the electronic structure of metal complexes(2019) Hallmen, Philipp P.; Slageren, Joris van (Prof. Dr.)This thesis describes the development and application of new quantum chemical methods for the fast and accurate numerical simulation of the electronic structure and the magnetic and spectroscopic properties of metal complexes, with a focus on molecular nanomagnets.