<i>Ab initio</i> electronic structure calculations of lanthanide single-molecule magnets; a practical guide
Nicholas F. Chilton
Abstract
The description of single-molecule magnets is mired in both physics and chemistry jargon, and requires advanced theory and methods to describe their properties. This practical guide on ab initio calculations is intended to demystify the topic.
Topics & Concepts
LanthanideElectronic structureIntersection (aeronautics)MagnetismFocus (optics)Interpretation (philosophy)Spin (aerodynamics)Materials scienceNexus (standard)NanotechnologyQuantumQuantum chemicalChemistryElectronic materialsPhysicsTheoretical physicsElectron configurationEngineering physicsField (mathematics)Magnetism in coordination complexesMetal-Catalyzed Oxygenation MechanismsLanthanide and Transition Metal Complexes