Molecular magnets basic concepts

This chapter introduces the basic concepts that are needed to understand the quantum phenomena observed in molecular nanomagnets. All tunneling studies presented here were performed by magnetization measurements on single crystals using an array of micro-SQUIDs [4]. 

Autschbach has outlined some basic concepts of relativistic quantum chemistry and recent developments of relativistic methods for the calculation of the molecular properties, including important for NMR spectroscopy, nuclear magnetic resonance shielding, indirect nuclear spin-spin coupling and electric field gradients (nuclear quadrupole coupling). The author analysed the performance of density functional theory (DFT) and its applications for heavy-element systems. Finally, the author has reviewed selected applications of DFT in relativistic calculation of magnetic resonance parameters. 

Basic theoretical concepts of exchange will be developed in this article. Useful theoretical models invented for the rationalization of the results will be described and their use illustrated by descriptions of extended arrays, principally onedimensional for simplicity. The development of molecular-based magnetism over the past 15 years has been particularly rapid, so emphasis is given to the use of molecular units in... 

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